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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 1V2V | Ki = 427 uM | BEN | C7 H8 N2 | [H]/N=C(c1.... |
2 | 2ZDN | - | 49U | C21 H30 N4 O2 | [H]/N=C(c1.... |
3 | 2ZQ1 | - | 11U | C21 H31 N5 O2 | [H]/N=C(/c.... |
4 | 1TNH | Ki = 0.43 mM | FBA | C7 H9 F N | c1cc(ccc1C.... |
5 | 2BYA | - | BAM | C7 H9 N2 | c1ccc(cc1).... |
6 | 6SV0 | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
7 | 1Y5A | Ki = 1.33 uM | TL2 | C20 H22 N4 O4 | [H]/N=C(c1.... |
8 | 5MNG | - | BAM | C7 H9 N2 | c1ccc(cc1).... |
9 | 6SW0 | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
10 | 2AYW | - | ONO | C28 H31 N5 O6 | CC(C)(C)[C.... |
11 | 6SV9 | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
12 | 6SVR | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
13 | 1Y3Y | Ki = 2300 nM | UIR | C27 H30 N4 O3 | c1cc(ccc1[.... |
14 | 3PTB | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
15 | 5FXL | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
16 | 1O2I | Ki = 0.052 uM | 655 | C19 H20 N4 O2 | c1cc(c(c(c.... |
17 | 1GI6 | Ki = 1.7 uM | 124 | C15 H14 N3 O | c1ccc(c(c1.... |
18 | 5MON | Kd = 3.3 mM | 2AP | C5 H7 N2 | c1cc[nH+]c.... |
19 | 1O3D | Ki = 0.074 uM | 780 | C20 H16 N4 O | c1ccc(cc1).... |
20 | 5F6M | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
21 | 1Y59 | Ki = 1.19 uM | TL1 | C20 H22 N4 O4 | c1cc(cc(c1.... |
22 | 1O39 | Ki = 0.074 uM | 780 | C20 H16 N4 O | c1ccc(cc1).... |
23 | 1QL7 | Kd = 15 uM | ZEN | C25 H27 Cl N4 O3 S | c1cc(cc2c1.... |
24 | 2ZDM | - | 46U | C21 H30 N4 O3 | [H]/N=C(/c.... |
25 | 3NK8 | - | JKZ | C9 H8 F3 N O | C1CC2=C(C1.... |
26 | 1C2I | - | BAK | C17 H16 N8 O | c1cc2c(cc1.... |
27 | 1C2E | - | BAK | C17 H16 N8 O | c1cc2c(cc1.... |
28 | 1G3C | Ki = 1.6 uM | 109 FE 109 | n/a | n/a |
29 | 1YP9 | Ki = 7700 nM | UIZ | C31 H32 N4 O3 | [H]/N=C(/c.... |
30 | 6B6T | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
31 | 1V2L | Ki = 51 uM | BEN | C7 H8 N2 | [H]/N=C(c1.... |
32 | 1Y3X | Ki = 7315 nM | UIB | C26 H32 N4 O3 | CC[C@@H]1[.... |
33 | 1OYQ | Ki = 110 nM | T87 | C29 H31 N7 O3 | [H]/N=C(/c.... |
34 | 6SY3 | Ki = 497 uM | LXW | C26 H28 N4 O2 | c1ccc(cc1).... |
35 | 1XUG | Ki = 0.09 uM | BAB | C17 H19 N8 | c1cc2c(cc1.... |
36 | 3AAU | Ki = 9 uM | GZC CU | n/a | n/a |
37 | 1C5S | Ki = 1 uM | ESX | C9 H9 N2 S | c1ccc2c(c1.... |
38 | 1V2N | Ki = 1.25 uM | BBA | C23 H28 N4 O | c1cc(ccc1C.... |
39 | 1XUH | - | BAO | C17 H14 N8 O | c1cc2c(cc1.... |
40 | 2G8T | - | MI2 | C16 H15 N3 | [H]/N=C(c1.... |
41 | 2BY8 | - | BAM | C7 H9 N2 | c1ccc(cc1).... |
42 | 5MN1 | Kd = 3.3 mM | 2AP | C5 H7 N2 | c1cc[nH+]c.... |
43 | 1XUK | Ki = 19 uM | BAB | C17 H19 N8 | c1cc2c(cc1.... |
44 | 1V2J | Ki = 566 uM | BEN | C7 H8 N2 | [H]/N=C(c1.... |
45 | 5EG4 | Ki = 21 nM | 5N7 | C42 H56 N10 O6 S | [H]/N=C(c1.... |
46 | 6SVJ | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
47 | 1K1N | Kd = 153 nM | CCR | C29 H39 N5 O7 S | Cc1cc(c(c(.... |
48 | 1V2M | Ki = 51 uM | BEN | C7 H8 N2 | [H]/N=C(c1.... |
49 | 1C1T | - | BAB | C17 H19 N8 | c1cc2c(cc1.... |
50 | 1G3E | Ki = 4.2 uM | 109 | C11 H15 N3 O3 | C[C@@H](C(.... |
51 | 2FX6 | Ki = 200 uM | 270 | C7 H7 N3 | C1=CC2=NC(.... |
52 | 2ZQ2 | Kd = 276 nM | 13U | C23 H35 N5 O2 | [H]/N=C(/c.... |
53 | 1MTW | - | DX9 | C26 H28 N4 O3 | [H]/N=C(C).... |
54 | 1QA0 | - | 270 | C7 H7 N3 | C1=CC2=NC(.... |
55 | 1F0T | Ki = 1000 nM | PR1 | C19 H19 N5 O4 S2 | c1cc2c(cc(.... |
56 | 1O3E | Ki = 0.011 uM | 696 | C21 H17 N3 O | c1ccc(cc1).... |
57 | 1AZ8 | - | IN4 | C20 H24 N4 O2 | [H]/N=C(c1.... |
58 | 1Y3W | Ki = 1680 nM | UIP | C26 H30 N4 O3 | CC[C@@H]1[.... |
59 | 2BY9 | - | BAM | C7 H9 N2 | c1ccc(cc1).... |
60 | 1QB6 | Ki = 870 nM | 623 | C20 H18 F2 N5 O2 | [H]/N=C(/c.... |
61 | 1O3N | - | 785 | C15 H11 F3 N4 O2 | c1cc2c(cc1.... |
62 | 3GY3 | Kd = 2.36 uM | PNT | C19 H24 N4 O2 | c1cc(ccc1C.... |
63 | 3NKK | Kd = 20 uM | JLZ | C8 H9 F N2 | [H]/N=C(/c.... |
64 | 3GY4 | Kd = 8 uM | PBZ | C7 H10 N3 | c1cc(ccc1C.... |
65 | 1TNL | Ki = 13.3 mM | TPA | C9 H12 N | c1ccc(cc1).... |
66 | 1C2K | - | ABI | C8 H9 N4 | c1cc2c(cc1.... |
67 | 1V2K | Ki = 0.65 uM | ZEN | C25 H27 Cl N4 O3 S | c1cc(cc2c1.... |
68 | 1O3J | Ki = 0.17 uM | 334 | C15 H13 Br N4 O | Cc1cc(c(c(.... |
69 | 2BZA | Ki = 1.58 mM | ABN | C7 H9 N | c1ccc(cc1).... |
70 | 2ZDK | - | 50U | C22 H32 N4 O2 | [H]/N=C(/c.... |
71 | 5MNQ | Kd = 3.6 uM | J3I | C21 H32 N6 O2 | [H]/N=C(N).... |
72 | 1C5P | Ki = 21 uM | BAM | C7 H9 N2 | c1ccc(cc1).... |
73 | 1K1M | Kd = 40 nM | FD4 | C26 H29 N5 O4 S | CC(=O)N1CC.... |
74 | 6B6R | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
75 | 1MTS | - | BX3 | C27 H30 N4 O3 | CC(=N)N1CC.... |
76 | 1UTO | Kd = 5.32 mM | PEA | C8 H12 N | c1ccc(cc1).... |
77 | 3AAS | Ki = 31 uM | GUS | C11 H14 N4 O3 | [H]/N=C(N).... |
78 | 1TNK | Ki = 32.5 mM | PRA | C9 H13 N | c1ccc(cc1).... |
79 | 3GY7 | Kd = 30 uM | BEN | C7 H8 N2 | [H]/N=C(c1.... |
80 | 1O30 | Ki = 0.17 uM | 693 | C24 H17 F N4 O5 | c1ccc(c(c1.... |
81 | 2BY6 | - | BAM | C7 H9 N2 | c1ccc(cc1).... |
82 | 2AGG | - | SIN ALA ALA PRO LYS | n/a | n/a |
83 | 6T5W | Ki = 47 uM | J5K | C20 H25 N5 O2 | c1ccc(cc1).... |
84 | 3GY5 | Kd = 1.8 uM | BRN | C14 H15 N7 | c1cc(ccc1C.... |
85 | 1S0R | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
86 | 6B6N | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
87 | 1C5Q | Ki = 0.44 uM | ESI | C9 H8 I N2 S | c1cc2c(cc(.... |
88 | 3T25 | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
89 | 1GHZ | Ki = 16 uM | 120 | C13 H12 N5 O | c1cc2c(cc1.... |
90 | 1C5U | - | ESP | C8 H8 N3 S | c1cc2cc(sc.... |
91 | 1N6X | - | ABN | C7 H9 N | c1ccc(cc1).... |
92 | 1O2V | Ki = 1.4 uM | 847 | C18 H13 Br N4 O5 | c1cc2c(cc1.... |
93 | 1V2Q | Ki = 73.62 uM | ANH | C20 H24 N4 O5 S | Cc1ccc(cc1.... |
94 | 6SV8 | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
95 | 1TNG | Ki = 1.17 mM | AMC | C7 H16 N | C1CCC(CC1).... |
96 | 3T26 | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
97 | 6FID | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
98 | 5MNO | Kd = 143 uM | MRZ | C6 H13 N3 | [H]/N=C(N).... |
99 | 4YTA | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
100 | 1GI4 | Ki = 0.065 uM | 122 | C14 H13 N4 O | c1ccc(c(c1.... |
101 | 1BTY | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
102 | 1K1P | - | MEL | C22 H31 N5 O4 | c1cc(ccc1C.... |
103 | 1V2T | Ki = 19.56 uM | ANH | C20 H24 N4 O5 S | Cc1ccc(cc1.... |
104 | 1O3G | Ki = 0.011 uM | 696 | C21 H17 N3 O | c1ccc(cc1).... |
105 | 2TIO | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
106 | 1C2D | Ki = 0.0052 uM | BAK | C17 H16 N8 O | c1cc2c(cc1.... |
107 | 1C1R | Ki = 0.0235 uM | BAI | C16 H14 N6 | c1ccc2c(c1.... |
108 | 1C2H | - | BAK | C17 H16 N8 O | c1cc2c(cc1.... |
109 | 1O36 | Ki = 1.1 uM | 607 | C24 H19 N5 O5 | c1ccc(c(c1.... |
110 | 2BY7 | - | BAM | C7 H9 N2 | c1ccc(cc1).... |
111 | 3GY8 | Kd = 1.8 uM | BRN | C14 H15 N7 | c1cc(ccc1C.... |
112 | 5T3H | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
113 | 3ITI | ic50 = 0.27 uM | BRV | C8 H4 Br3 N O4 | c1(c(c(c(c.... |
114 | 2ZFS | - | 12U | C22 H33 N5 O2 | [H]/N=C(/c.... |
115 | 3GY6 | Kd = 1.8 uM | BRN | C14 H15 N7 | c1cc(ccc1C.... |
116 | 1O3L | - | 678 | C17 H13 Br N3 O3 | c1cc2c(cc1.... |
117 | 1BJU | Ki = 6.2 uM | GP6 | C14 H13 Cl N4 O | [H]/N=C(c1.... |
118 | 1XUJ | Ki < 1 nM | BOZ | C17 H18 N8 O Zn | c1cc2c(cc1.... |
119 | 1TX7 | Ki = 25 uM | 4CM | C8 H11 N2 O2 P | C[P@](=O)(.... |
120 | 6B6O | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
121 | 3M35 | - | M35 | C25 H20 F4 N4 O3 S | CS(=O)(=O).... |
122 | 1MTU | - | BX3 | C27 H30 N4 O3 | CC(=N)N1CC.... |
123 | 1O32 | Ki = 1.8 uM | 801 | C13 H11 N5 O | c1cc(c(nc1.... |
124 | 3T27 | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
125 | 5LH4 | - | 6W4 | C32 H34 N6 O2 | c1ccc(cc1).... |
126 | 1O2Q | Ki = 0.021 uM | 991 | C20 H20 Cl N3 O2 | c1cc(c(c(c.... |
127 | 1K1J | Kd = 28 nM | FD2 | C27 H30 N4 O5 S | [H]/N=C(/c.... |
128 | 5MNN | - | MRZ | C6 H13 N3 | [H]/N=C(N).... |
129 | 1C1S | - | BAB | C17 H19 N8 | c1cc2c(cc1.... |
130 | 1QBO | Ki = 18 nM | 711 | C27 H31 N6 O | Cc1[nH]c2c.... |
131 | 1V2R | Ki = 278.96 uM | ANH | C20 H24 N4 O5 S | Cc1ccc(cc1.... |
132 | 1C5R | - | ESI | C9 H8 I N2 S | c1cc2c(cc(.... |
133 | 6SVV | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
134 | 1K1O | - | IGN | C21 H38 N6 O4 | C1CCC(CC1).... |
135 | 2ZFT | - | 10U | C20 H29 N5 O2 | c1cc(ccc1C.... |
136 | 1TIO | - | BAM | C7 H9 N2 | c1ccc(cc1).... |
137 | 1V2U | Ki = 427 uM | BEN | C7 H8 N2 | [H]/N=C(c1.... |
138 | 1MTV | - | BX3 | C27 H30 N4 O3 | CC(=N)N1CC.... |
139 | 1Y5B | Kd = 1.26 uM | TL3 | C20 H22 N4 O4 | c1cc(ccc1C.... |
140 | 1G36 | Ki = 67 nM | R11 | C25 H25 N7 | [H]/N=C(/c.... |
141 | 6SVZ | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
142 | 1O2L | - | 762 | C20 H15 Cl N4 O | c1ccc(cc1).... |
143 | 1TX8 | Ki = 1800 uM | AM4 | C8 H10 N2 O2 S | CS(=O)(=O).... |
144 | 1GI1 | Ki = 3.6 uM | BMZ | C14 H13 N4 O | c1ccc(c(c1.... |
145 | 1V2W | Ki = 97.79 uM | ANH | C20 H24 N4 O5 S | Cc1ccc(cc1.... |
146 | 6SV6 | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
147 | 1O3H | Ki = 0.05 uM | 907 | C16 H14 Br N3 O | Cc1cc(c(c(.... |
148 | 4NCY | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
149 | 1O35 | - | 802 | C14 H11 F N4 O | c1cc2c(cc1.... |
150 | 1PPC | Ki = 0.69 uM | MID | C27 H31 N5 O4 S | [H]/N=C(/c.... |
151 | 1TNI | Ki = 0.1 mM | PBN | C10 H15 N | c1ccc(cc1).... |
152 | 6SVU | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
153 | 1V2S | Ki = 68 uM | BEN | C7 H8 N2 | [H]/N=C(c1.... |
154 | 1LQE | Ki = 1507 nM | IMA | C34 H36 N5 O2 | C[N+](C)(C.... |
155 | 1O2S | Ki = 3.4 uM | CR4 | C14 H12 N4 O | c1ccc(c(c1.... |
156 | 1O3M | - | 785 | C15 H11 F3 N4 O2 | c1cc2c(cc1.... |
157 | 6E5M | - | CYS THR LYS SER ILE PRO PRO GLN CYS | n/a | n/a |
158 | 1O2X | Ki = 1.4 uM | 847 | C18 H13 Br N4 O5 | c1cc2c(cc1.... |
159 | 1O38 | Ki = 0.15 uM | 653 | C22 H22 N5 O | c1ccc(cc1).... |
160 | 1G3B | Ki = 1.8 uM | 108 | C11 H15 N3 O3 | C[C@@H](C(.... |
161 | 1BJV | Ki = 13 uM | GP8 | C20 H18 N4 O2 | c1ccc(cc1).... |
162 | 1C1P | - | BAI | C16 H14 N6 | c1ccc2c(c1.... |
163 | 1C2J | - | BAK | C17 H16 N8 O | c1cc2c(cc1.... |
164 | 1C2F | - | BAH | C17 H18 N8 O2 | c1cc2c(cc1.... |
165 | 3LJJ | Kd = 300 nM | 10U | C20 H29 N5 O2 | c1cc(ccc1C.... |
166 | 1O3I | Ki = 0.05 uM | 907 | C16 H14 Br N3 O | Cc1cc(c(c(.... |
167 | 1Y3V | Ki = 2300 nM | UIR | C27 H30 N4 O3 | c1cc(ccc1[.... |
168 | 1UTP | Kd = 36 mM | PBN | C10 H15 N | c1ccc(cc1).... |
169 | 2BLV | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
170 | 6SVG | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
171 | 1TNJ | Ki = 11 mM | PEA | C8 H12 N | c1ccc(cc1).... |
172 | 3GY2 | Kd = 1.8 uM | BRN | C14 H15 N7 | c1cc(ccc1C.... |
173 | 6T0M | Ki = 39 uM | GOZ | C20 H26 N6 O2 | c1ccc(cc1).... |
174 | 6B6S | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
175 | 1O2P | - | 972 | C18 H19 Cl N4 O2 | CC(C)COc1c.... |
176 | 1K1I | Kd = 264 nM | FD1 | C26 H28 N4 O5 S | [H]/N=C(c1.... |
177 | 1GJ6 | Ki = 0.23 uM | 132 | C21 H17 Cl N3 O | c1ccc(cc1).... |
178 | 3LJO | Kd = 239 nM | 11U | C21 H31 N5 O2 | [H]/N=C(/c.... |
179 | 1O2Y | Ki = 1.4 uM | 847 | C18 H13 Br N4 O5 | c1cc2c(cc1.... |
180 | 6SVN | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
181 | 1O31 | Ki = 1.8 uM | 801 | C13 H11 N5 O | c1cc(c(nc1.... |
182 | 2BY5 | - | BAM | C7 H9 N2 | c1ccc(cc1).... |
183 | 1XUI | - | BAO | C17 H14 N8 O | c1cc2c(cc1.... |
184 | 1C5T | Ki = 80 uM | ESP | C8 H8 N3 S | c1cc2cc(sc.... |
185 | 1EB2 | Ki = 16 nM | BPO | C28 H28 N4 O3 | [H]/N=C(c1.... |
186 | 6SVB | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
187 | 1O2K | Ki = 0.12 uM | 656 | C18 H20 N4 O2 | CC(C)COc1c.... |
188 | 5LGO | - | 6VZ | C27 H36 N6 O4 | CNC(=O)[C@.... |
189 | 1GI0 | - | BMZ | C14 H13 N4 O | c1ccc(c(c1.... |
190 | 1V2P | Ki = 18.45 uM | ANH | C20 H24 N4 O5 S | Cc1ccc(cc1.... |
191 | 1TPS | ic50 = 10 nM | OSL DLE THR ARG GLU LEU YNM VAL | n/a | n/a |
192 | 1N6Y | - | ABN | C7 H9 N | c1ccc(cc1).... |
193 | 1O34 | Ki = 1.8 uM | 801 | C13 H11 N5 O | c1cc(c(nc1.... |
194 | 6SUX | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
195 | 2ZDL | - | 45U | C20 H28 N4 O3 | [H]/N=C(/c.... |
196 | 1PPH | Ki = 1.2 uM | 0ZG | C22 H28 N4 O3 S | [H]/N=C(/c.... |
197 | 2G5N | - | 23M | C16 H15 N3 | [H]/N=C(c1.... |
198 | 1G3D | Ki = 2.8 uM | 108 | C11 H15 N3 O3 | C[C@@H](C(.... |
199 | 5MOO | Kd = 48.5 mM | WOT | C6 H8 N | c1ccc(cc1).... |
200 | 1O2U | Ki = 1.4 uM | 847 | C18 H13 Br N4 O5 | c1cc2c(cc1.... |
201 | 1O2R | - | CR9 | C21 H23 F N4 O2 | C[C@H]1CCC.... |
202 | 3QK1 | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
203 | 6SVX | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
204 | 5MNH | Kd = 20.7 uM | BAM | C7 H9 N2 | c1ccc(cc1).... |
205 | 6B6P | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
206 | 3T29 | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
207 | 6EAT | - | CYS THR LYS SER ILE PRO PRO GLN CYS | n/a | n/a |
208 | 1O2H | Ki = 0.068 uM | CR3 | C20 H21 N3 O2 | c1cc(c(c(c.... |
209 | 1QB9 | Ki = 36 nM | 806 | C31 H31 N5 O | [H]/N=C(/C.... |
210 | 2BLW | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
211 | 1O3B | Ki = 0.074 uM | 780 | C20 H16 N4 O | c1ccc(cc1).... |
212 | 1O2Z | Ki = 0.78 uM | 312 | C25 H20 N4 O6 | COc1ccccc1.... |
213 | 1K1L | Kd = 125 nM | FD3 | C24 H27 N5 O3 S | [H]/N=C(/c.... |
214 | 1O2O | Ki = 0.44 uM | 950 | C18 H19 F N4 O2 | CC(C)COc1c.... |
215 | 1C1Q | - | BAI | C16 H14 N6 | c1ccc2c(c1.... |
216 | 1F0U | Ki = 69 nM | RPR | C27 H30 N4 O3 | C[C@H]([C@.... |
217 | 1C2G | - | BAH | C17 H18 N8 O2 | c1cc2c(cc1.... |
218 | 1O37 | Ki = 0.15 uM | 653 | C22 H22 N5 O | c1ccc(cc1).... |
219 | 1O3F | Ki = 0.011 uM | 696 | C21 H17 N3 O | c1ccc(cc1).... |
220 | 1JIR | - | AML | C5 H13 N | CCCCCN |
221 | 1O2N | Ki = 0.81 uM | 762 | C20 H15 Cl N4 O | c1ccc(cc1).... |
222 | 1O3O | - | 785 | C15 H11 F3 N4 O2 | c1cc2c(cc1.... |
223 | 1CE5 | Ki = 18.4 uM | BEN | C7 H8 N2 | [H]/N=C(c1.... |
224 | 5MNB | Kd = 3.3 mM | 2AP | C5 H7 N2 | c1cc[nH+]c.... |
225 | 6DZF | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
226 | 5LH8 | - | 6WH | C31 H38 N6 O3 | COc1cc(ccc.... |
227 | 2ZHD | - | 12U | C22 H33 N5 O2 | [H]/N=C(/c.... |
228 | 1O2J | Ki = 0.12 uM | 656 | C18 H20 N4 O2 | CC(C)COc1c.... |
229 | 1AQ7 | ic50 = 0.9 uM | 34H DIL XPR AG2 | n/a | n/a |
230 | 1O3K | Ki = 0.17 uM | 334 | C15 H13 Br N4 O | Cc1cc(c(c(.... |
231 | 2G5V | - | 22M | C16 H15 N3 | [H]/N=C(c1.... |
232 | 1Y5U | Kd = 0.22 uM | TL4 | C20 H22 N4 O4 | c1cc(cc(c1.... |
233 | 6SVI | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
234 | 1J8A | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
235 | 6B6Q | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
236 | 1QB1 | Ki = 170 nM | 974 | C28 H27 F2 N6 O5 | Cn1ccnc1c2.... |
237 | 1O2W | Ki = 1.4 uM | 847 | C18 H13 Br N4 O5 | c1cc2c(cc1.... |
238 | 1XUF | Ki = 0.09 uM | BAZ | C17 H16 N8 Zn | [H]/N=C(c1.... |
239 | 1QBN | Ki = 1400 nM | 688 | C22 H17 N5 O5 | c1cc(cc(c1.... |
240 | 1O33 | Ki = 1.8 uM | 801 | C13 H11 N5 O | c1cc(c(nc1.... |
241 | 1V2O | Ki = 18.45 uM | ANH | C20 H24 N4 O5 S | Cc1ccc(cc1.... |
242 | 1C1N | - | BAM | C7 H9 N2 | c1ccc(cc1).... |
243 | 1UTN | Kd = 0.321 mM | ABN | C7 H9 N | c1ccc(cc1).... |
244 | 6SVD | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
245 | 6T0P | Ki = 62 uM | M6Q | C20 H25 N5 O2 | c1ccc(cc1).... |
246 | 6SVW | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
247 | 1BIT | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
248 | 1HJ8 | - | BAM | C7 H9 N2 | c1ccc(cc1).... |
249 | 1UTL | Ka = 293 M^-1 | PRA | C9 H13 N | c1ccc(cc1).... |
250 | 2TBS | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
251 | 2ZPQ | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
252 | 1UTJ | Kd = 0.144 mM | ABN | C7 H9 N | c1ccc(cc1).... |
253 | 1UTM | Ka = 243 M^-1 | PEA | C8 H12 N | c1ccc(cc1).... |
254 | 1MBQ | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
255 | 2ZPS | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
256 | 2ZPR | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
257 | 1ANE | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
258 | 1J16 | Ki = 143 uM | BEN | C7 H8 N2 | [H]/N=C(c1.... |
259 | 1J14 | Ki = 32.2 uM | BEN | C7 H8 N2 | [H]/N=C(c1.... |
260 | 1BRA | Ki = 15000 uM | BEN | C7 H8 N2 | [H]/N=C(c1.... |
261 | 1J15 | Ki = 143 uM | BEN | C7 H8 N2 | [H]/N=C(c1.... |
262 | 1TRM | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
263 | 1J17 | Ki = 6.05 uM | ZEN | C25 H27 Cl N4 O3 S | c1cc(cc2c1.... |
264 | 1ANC | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
265 | 1QL9 | Ki = 4.45 uM | ZEN | C25 H27 Cl N4 O3 S | c1cc(cc2c1.... |
266 | 1DPO | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
267 | 1AND | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
268 | 1H4W | Ki = 22 uM | BEN | C7 H8 N2 | [H]/N=C(c1.... |
269 | 5TP0 | Ki = 3.66 uM | BRN | C14 H15 N7 | c1cc(ccc1C.... |
270 | 5XWL | - | ACE THR ARG GLU | n/a | n/a |
271 | 5XWJ | - | ACE THR ARG GLU | n/a | n/a |
272 | 1V6D | - | PRO ASP AIB LEU AIB LEU ALA TBF NME | n/a | n/a |
273 | 1YF4 | Ki = 5 nM | CYS TYR PHE GLN ASN CYS PRO ARG GLY NH2 | n/a | n/a |
274 | 1S6H | - | 4BZ | C8 H10 N2 O | [H]/N=C(c1.... |
275 | 1S83 | - | 4HA | C4 H12 N O | C(CCO)C[NH.... |
276 | 1S5S | - | PG3 | C4 H12 N3 O | C(CNC(=[NH.... |
277 | 1A0J | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 1V2V | Ki = 427 uM | BEN | C7 H8 N2 | [H]/N=C(c1.... |
2 | 2ZDN | - | 49U | C21 H30 N4 O2 | [H]/N=C(c1.... |
3 | 2ZQ1 | - | 11U | C21 H31 N5 O2 | [H]/N=C(/c.... |
4 | 1TNH | Ki = 0.43 mM | FBA | C7 H9 F N | c1cc(ccc1C.... |
5 | 2BYA | - | BAM | C7 H9 N2 | c1ccc(cc1).... |
6 | 6SV0 | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
7 | 1Y5A | Ki = 1.33 uM | TL2 | C20 H22 N4 O4 | [H]/N=C(c1.... |
8 | 5MNG | - | BAM | C7 H9 N2 | c1ccc(cc1).... |
9 | 6SW0 | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
10 | 2AYW | - | ONO | C28 H31 N5 O6 | CC(C)(C)[C.... |
11 | 6SV9 | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
12 | 6SVR | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
13 | 1Y3Y | Ki = 2300 nM | UIR | C27 H30 N4 O3 | c1cc(ccc1[.... |
14 | 3PTB | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
15 | 5FXL | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
16 | 1O2I | Ki = 0.052 uM | 655 | C19 H20 N4 O2 | c1cc(c(c(c.... |
17 | 1GI6 | Ki = 1.7 uM | 124 | C15 H14 N3 O | c1ccc(c(c1.... |
18 | 5MON | Kd = 3.3 mM | 2AP | C5 H7 N2 | c1cc[nH+]c.... |
19 | 1O3D | Ki = 0.074 uM | 780 | C20 H16 N4 O | c1ccc(cc1).... |
20 | 5F6M | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
21 | 1Y59 | Ki = 1.19 uM | TL1 | C20 H22 N4 O4 | c1cc(cc(c1.... |
22 | 1O39 | Ki = 0.074 uM | 780 | C20 H16 N4 O | c1ccc(cc1).... |
23 | 1QL7 | Kd = 15 uM | ZEN | C25 H27 Cl N4 O3 S | c1cc(cc2c1.... |
24 | 2ZDM | - | 46U | C21 H30 N4 O3 | [H]/N=C(/c.... |
25 | 3NK8 | - | JKZ | C9 H8 F3 N O | C1CC2=C(C1.... |
26 | 1C2I | - | BAK | C17 H16 N8 O | c1cc2c(cc1.... |
27 | 1C2E | - | BAK | C17 H16 N8 O | c1cc2c(cc1.... |
28 | 1G3C | Ki = 1.6 uM | 109 FE 109 | n/a | n/a |
29 | 1YP9 | Ki = 7700 nM | UIZ | C31 H32 N4 O3 | [H]/N=C(/c.... |
30 | 6B6T | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
31 | 1V2L | Ki = 51 uM | BEN | C7 H8 N2 | [H]/N=C(c1.... |
32 | 1Y3X | Ki = 7315 nM | UIB | C26 H32 N4 O3 | CC[C@@H]1[.... |
33 | 1OYQ | Ki = 110 nM | T87 | C29 H31 N7 O3 | [H]/N=C(/c.... |
34 | 6SY3 | Ki = 497 uM | LXW | C26 H28 N4 O2 | c1ccc(cc1).... |
35 | 1XUG | Ki = 0.09 uM | BAB | C17 H19 N8 | c1cc2c(cc1.... |
36 | 3AAU | Ki = 9 uM | GZC CU | n/a | n/a |
37 | 1C5S | Ki = 1 uM | ESX | C9 H9 N2 S | c1ccc2c(c1.... |
38 | 1V2N | Ki = 1.25 uM | BBA | C23 H28 N4 O | c1cc(ccc1C.... |
39 | 1XUH | - | BAO | C17 H14 N8 O | c1cc2c(cc1.... |
40 | 2G8T | - | MI2 | C16 H15 N3 | [H]/N=C(c1.... |
41 | 2BY8 | - | BAM | C7 H9 N2 | c1ccc(cc1).... |
42 | 5MN1 | Kd = 3.3 mM | 2AP | C5 H7 N2 | c1cc[nH+]c.... |
43 | 1XUK | Ki = 19 uM | BAB | C17 H19 N8 | c1cc2c(cc1.... |
44 | 1V2J | Ki = 566 uM | BEN | C7 H8 N2 | [H]/N=C(c1.... |
45 | 5EG4 | Ki = 21 nM | 5N7 | C42 H56 N10 O6 S | [H]/N=C(c1.... |
46 | 6SVJ | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
47 | 1K1N | Kd = 153 nM | CCR | C29 H39 N5 O7 S | Cc1cc(c(c(.... |
48 | 1V2M | Ki = 51 uM | BEN | C7 H8 N2 | [H]/N=C(c1.... |
49 | 1C1T | - | BAB | C17 H19 N8 | c1cc2c(cc1.... |
50 | 1G3E | Ki = 4.2 uM | 109 | C11 H15 N3 O3 | C[C@@H](C(.... |
51 | 2FX6 | Ki = 200 uM | 270 | C7 H7 N3 | C1=CC2=NC(.... |
52 | 2ZQ2 | Kd = 276 nM | 13U | C23 H35 N5 O2 | [H]/N=C(/c.... |
53 | 1MTW | - | DX9 | C26 H28 N4 O3 | [H]/N=C(C).... |
54 | 1QA0 | - | 270 | C7 H7 N3 | C1=CC2=NC(.... |
55 | 1F0T | Ki = 1000 nM | PR1 | C19 H19 N5 O4 S2 | c1cc2c(cc(.... |
56 | 1O3E | Ki = 0.011 uM | 696 | C21 H17 N3 O | c1ccc(cc1).... |
57 | 1AZ8 | - | IN4 | C20 H24 N4 O2 | [H]/N=C(c1.... |
58 | 1Y3W | Ki = 1680 nM | UIP | C26 H30 N4 O3 | CC[C@@H]1[.... |
59 | 2BY9 | - | BAM | C7 H9 N2 | c1ccc(cc1).... |
60 | 1QB6 | Ki = 870 nM | 623 | C20 H18 F2 N5 O2 | [H]/N=C(/c.... |
61 | 1O3N | - | 785 | C15 H11 F3 N4 O2 | c1cc2c(cc1.... |
62 | 3GY3 | Kd = 2.36 uM | PNT | C19 H24 N4 O2 | c1cc(ccc1C.... |
63 | 3NKK | Kd = 20 uM | JLZ | C8 H9 F N2 | [H]/N=C(/c.... |
64 | 3GY4 | Kd = 8 uM | PBZ | C7 H10 N3 | c1cc(ccc1C.... |
65 | 1TNL | Ki = 13.3 mM | TPA | C9 H12 N | c1ccc(cc1).... |
66 | 1C2K | - | ABI | C8 H9 N4 | c1cc2c(cc1.... |
67 | 1V2K | Ki = 0.65 uM | ZEN | C25 H27 Cl N4 O3 S | c1cc(cc2c1.... |
68 | 1O3J | Ki = 0.17 uM | 334 | C15 H13 Br N4 O | Cc1cc(c(c(.... |
69 | 2BZA | Ki = 1.58 mM | ABN | C7 H9 N | c1ccc(cc1).... |
70 | 2ZDK | - | 50U | C22 H32 N4 O2 | [H]/N=C(/c.... |
71 | 5MNQ | Kd = 3.6 uM | J3I | C21 H32 N6 O2 | [H]/N=C(N).... |
72 | 1C5P | Ki = 21 uM | BAM | C7 H9 N2 | c1ccc(cc1).... |
73 | 1K1M | Kd = 40 nM | FD4 | C26 H29 N5 O4 S | CC(=O)N1CC.... |
74 | 6B6R | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
75 | 1MTS | - | BX3 | C27 H30 N4 O3 | CC(=N)N1CC.... |
76 | 1UTO | Kd = 5.32 mM | PEA | C8 H12 N | c1ccc(cc1).... |
77 | 3AAS | Ki = 31 uM | GUS | C11 H14 N4 O3 | [H]/N=C(N).... |
78 | 1TNK | Ki = 32.5 mM | PRA | C9 H13 N | c1ccc(cc1).... |
79 | 3GY7 | Kd = 30 uM | BEN | C7 H8 N2 | [H]/N=C(c1.... |
80 | 1O30 | Ki = 0.17 uM | 693 | C24 H17 F N4 O5 | c1ccc(c(c1.... |
81 | 2BY6 | - | BAM | C7 H9 N2 | c1ccc(cc1).... |
82 | 2AGG | - | SIN ALA ALA PRO LYS | n/a | n/a |
83 | 6T5W | Ki = 47 uM | J5K | C20 H25 N5 O2 | c1ccc(cc1).... |
84 | 3GY5 | Kd = 1.8 uM | BRN | C14 H15 N7 | c1cc(ccc1C.... |
85 | 1S0R | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
86 | 6B6N | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
87 | 1C5Q | Ki = 0.44 uM | ESI | C9 H8 I N2 S | c1cc2c(cc(.... |
88 | 3T25 | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
89 | 1GHZ | Ki = 16 uM | 120 | C13 H12 N5 O | c1cc2c(cc1.... |
90 | 1C5U | - | ESP | C8 H8 N3 S | c1cc2cc(sc.... |
91 | 1N6X | - | ABN | C7 H9 N | c1ccc(cc1).... |
92 | 1O2V | Ki = 1.4 uM | 847 | C18 H13 Br N4 O5 | c1cc2c(cc1.... |
93 | 1V2Q | Ki = 73.62 uM | ANH | C20 H24 N4 O5 S | Cc1ccc(cc1.... |
94 | 6SV8 | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
95 | 1TNG | Ki = 1.17 mM | AMC | C7 H16 N | C1CCC(CC1).... |
96 | 3T26 | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
97 | 6FID | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
98 | 5MNO | Kd = 143 uM | MRZ | C6 H13 N3 | [H]/N=C(N).... |
99 | 4YTA | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
100 | 1GI4 | Ki = 0.065 uM | 122 | C14 H13 N4 O | c1ccc(c(c1.... |
101 | 1BTY | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
102 | 1K1P | - | MEL | C22 H31 N5 O4 | c1cc(ccc1C.... |
103 | 1V2T | Ki = 19.56 uM | ANH | C20 H24 N4 O5 S | Cc1ccc(cc1.... |
104 | 1O3G | Ki = 0.011 uM | 696 | C21 H17 N3 O | c1ccc(cc1).... |
105 | 2TIO | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
106 | 1C2D | Ki = 0.0052 uM | BAK | C17 H16 N8 O | c1cc2c(cc1.... |
107 | 1C1R | Ki = 0.0235 uM | BAI | C16 H14 N6 | c1ccc2c(c1.... |
108 | 1C2H | - | BAK | C17 H16 N8 O | c1cc2c(cc1.... |
109 | 1O36 | Ki = 1.1 uM | 607 | C24 H19 N5 O5 | c1ccc(c(c1.... |
110 | 2BY7 | - | BAM | C7 H9 N2 | c1ccc(cc1).... |
111 | 3GY8 | Kd = 1.8 uM | BRN | C14 H15 N7 | c1cc(ccc1C.... |
112 | 5T3H | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
113 | 3ITI | ic50 = 0.27 uM | BRV | C8 H4 Br3 N O4 | c1(c(c(c(c.... |
114 | 2ZFS | - | 12U | C22 H33 N5 O2 | [H]/N=C(/c.... |
115 | 3GY6 | Kd = 1.8 uM | BRN | C14 H15 N7 | c1cc(ccc1C.... |
116 | 1O3L | - | 678 | C17 H13 Br N3 O3 | c1cc2c(cc1.... |
117 | 1BJU | Ki = 6.2 uM | GP6 | C14 H13 Cl N4 O | [H]/N=C(c1.... |
118 | 1XUJ | Ki < 1 nM | BOZ | C17 H18 N8 O Zn | c1cc2c(cc1.... |
119 | 1TX7 | Ki = 25 uM | 4CM | C8 H11 N2 O2 P | C[P@](=O)(.... |
120 | 6B6O | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
121 | 3M35 | - | M35 | C25 H20 F4 N4 O3 S | CS(=O)(=O).... |
122 | 1MTU | - | BX3 | C27 H30 N4 O3 | CC(=N)N1CC.... |
123 | 1O32 | Ki = 1.8 uM | 801 | C13 H11 N5 O | c1cc(c(nc1.... |
124 | 3T27 | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
125 | 5LH4 | - | 6W4 | C32 H34 N6 O2 | c1ccc(cc1).... |
126 | 1O2Q | Ki = 0.021 uM | 991 | C20 H20 Cl N3 O2 | c1cc(c(c(c.... |
127 | 1K1J | Kd = 28 nM | FD2 | C27 H30 N4 O5 S | [H]/N=C(/c.... |
128 | 5MNN | - | MRZ | C6 H13 N3 | [H]/N=C(N).... |
129 | 1C1S | - | BAB | C17 H19 N8 | c1cc2c(cc1.... |
130 | 1QBO | Ki = 18 nM | 711 | C27 H31 N6 O | Cc1[nH]c2c.... |
131 | 1V2R | Ki = 278.96 uM | ANH | C20 H24 N4 O5 S | Cc1ccc(cc1.... |
132 | 1C5R | - | ESI | C9 H8 I N2 S | c1cc2c(cc(.... |
133 | 6SVV | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
134 | 1K1O | - | IGN | C21 H38 N6 O4 | C1CCC(CC1).... |
135 | 2ZFT | - | 10U | C20 H29 N5 O2 | c1cc(ccc1C.... |
136 | 1TIO | - | BAM | C7 H9 N2 | c1ccc(cc1).... |
137 | 1V2U | Ki = 427 uM | BEN | C7 H8 N2 | [H]/N=C(c1.... |
138 | 1MTV | - | BX3 | C27 H30 N4 O3 | CC(=N)N1CC.... |
139 | 1Y5B | Kd = 1.26 uM | TL3 | C20 H22 N4 O4 | c1cc(ccc1C.... |
140 | 1G36 | Ki = 67 nM | R11 | C25 H25 N7 | [H]/N=C(/c.... |
141 | 6SVZ | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
142 | 1O2L | - | 762 | C20 H15 Cl N4 O | c1ccc(cc1).... |
143 | 1TX8 | Ki = 1800 uM | AM4 | C8 H10 N2 O2 S | CS(=O)(=O).... |
144 | 1GI1 | Ki = 3.6 uM | BMZ | C14 H13 N4 O | c1ccc(c(c1.... |
145 | 1V2W | Ki = 97.79 uM | ANH | C20 H24 N4 O5 S | Cc1ccc(cc1.... |
146 | 6SV6 | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
147 | 1O3H | Ki = 0.05 uM | 907 | C16 H14 Br N3 O | Cc1cc(c(c(.... |
148 | 4NCY | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
149 | 1O35 | - | 802 | C14 H11 F N4 O | c1cc2c(cc1.... |
150 | 1PPC | Ki = 0.69 uM | MID | C27 H31 N5 O4 S | [H]/N=C(/c.... |
151 | 1TNI | Ki = 0.1 mM | PBN | C10 H15 N | c1ccc(cc1).... |
152 | 6SVU | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
153 | 1V2S | Ki = 68 uM | BEN | C7 H8 N2 | [H]/N=C(c1.... |
154 | 1LQE | Ki = 1507 nM | IMA | C34 H36 N5 O2 | C[N+](C)(C.... |
155 | 1O2S | Ki = 3.4 uM | CR4 | C14 H12 N4 O | c1ccc(c(c1.... |
156 | 1O3M | - | 785 | C15 H11 F3 N4 O2 | c1cc2c(cc1.... |
157 | 6E5M | - | CYS THR LYS SER ILE PRO PRO GLN CYS | n/a | n/a |
158 | 1O2X | Ki = 1.4 uM | 847 | C18 H13 Br N4 O5 | c1cc2c(cc1.... |
159 | 1O38 | Ki = 0.15 uM | 653 | C22 H22 N5 O | c1ccc(cc1).... |
160 | 1G3B | Ki = 1.8 uM | 108 | C11 H15 N3 O3 | C[C@@H](C(.... |
161 | 1BJV | Ki = 13 uM | GP8 | C20 H18 N4 O2 | c1ccc(cc1).... |
162 | 1C1P | - | BAI | C16 H14 N6 | c1ccc2c(c1.... |
163 | 1C2J | - | BAK | C17 H16 N8 O | c1cc2c(cc1.... |
164 | 1C2F | - | BAH | C17 H18 N8 O2 | c1cc2c(cc1.... |
165 | 3LJJ | Kd = 300 nM | 10U | C20 H29 N5 O2 | c1cc(ccc1C.... |
166 | 1O3I | Ki = 0.05 uM | 907 | C16 H14 Br N3 O | Cc1cc(c(c(.... |
167 | 1Y3V | Ki = 2300 nM | UIR | C27 H30 N4 O3 | c1cc(ccc1[.... |
168 | 1UTP | Kd = 36 mM | PBN | C10 H15 N | c1ccc(cc1).... |
169 | 2BLV | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
170 | 6SVG | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
171 | 1TNJ | Ki = 11 mM | PEA | C8 H12 N | c1ccc(cc1).... |
172 | 3GY2 | Kd = 1.8 uM | BRN | C14 H15 N7 | c1cc(ccc1C.... |
173 | 6T0M | Ki = 39 uM | GOZ | C20 H26 N6 O2 | c1ccc(cc1).... |
174 | 6B6S | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
175 | 1O2P | - | 972 | C18 H19 Cl N4 O2 | CC(C)COc1c.... |
176 | 1K1I | Kd = 264 nM | FD1 | C26 H28 N4 O5 S | [H]/N=C(c1.... |
177 | 1GJ6 | Ki = 0.23 uM | 132 | C21 H17 Cl N3 O | c1ccc(cc1).... |
178 | 3LJO | Kd = 239 nM | 11U | C21 H31 N5 O2 | [H]/N=C(/c.... |
179 | 1O2Y | Ki = 1.4 uM | 847 | C18 H13 Br N4 O5 | c1cc2c(cc1.... |
180 | 6SVN | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
181 | 1O31 | Ki = 1.8 uM | 801 | C13 H11 N5 O | c1cc(c(nc1.... |
182 | 2BY5 | - | BAM | C7 H9 N2 | c1ccc(cc1).... |
183 | 1XUI | - | BAO | C17 H14 N8 O | c1cc2c(cc1.... |
184 | 1C5T | Ki = 80 uM | ESP | C8 H8 N3 S | c1cc2cc(sc.... |
185 | 1EB2 | Ki = 16 nM | BPO | C28 H28 N4 O3 | [H]/N=C(c1.... |
186 | 6SVB | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
187 | 1O2K | Ki = 0.12 uM | 656 | C18 H20 N4 O2 | CC(C)COc1c.... |
188 | 5LGO | - | 6VZ | C27 H36 N6 O4 | CNC(=O)[C@.... |
189 | 1GI0 | - | BMZ | C14 H13 N4 O | c1ccc(c(c1.... |
190 | 1V2P | Ki = 18.45 uM | ANH | C20 H24 N4 O5 S | Cc1ccc(cc1.... |
191 | 1TPS | ic50 = 10 nM | OSL DLE THR ARG GLU LEU YNM VAL | n/a | n/a |
192 | 1N6Y | - | ABN | C7 H9 N | c1ccc(cc1).... |
193 | 1O34 | Ki = 1.8 uM | 801 | C13 H11 N5 O | c1cc(c(nc1.... |
194 | 6SUX | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
195 | 2ZDL | - | 45U | C20 H28 N4 O3 | [H]/N=C(/c.... |
196 | 1PPH | Ki = 1.2 uM | 0ZG | C22 H28 N4 O3 S | [H]/N=C(/c.... |
197 | 2G5N | - | 23M | C16 H15 N3 | [H]/N=C(c1.... |
198 | 1G3D | Ki = 2.8 uM | 108 | C11 H15 N3 O3 | C[C@@H](C(.... |
199 | 5MOO | Kd = 48.5 mM | WOT | C6 H8 N | c1ccc(cc1).... |
200 | 1O2U | Ki = 1.4 uM | 847 | C18 H13 Br N4 O5 | c1cc2c(cc1.... |
201 | 1O2R | - | CR9 | C21 H23 F N4 O2 | C[C@H]1CCC.... |
202 | 3QK1 | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
203 | 6SVX | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
204 | 5MNH | Kd = 20.7 uM | BAM | C7 H9 N2 | c1ccc(cc1).... |
205 | 6B6P | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
206 | 3T29 | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
207 | 6EAT | - | CYS THR LYS SER ILE PRO PRO GLN CYS | n/a | n/a |
208 | 1O2H | Ki = 0.068 uM | CR3 | C20 H21 N3 O2 | c1cc(c(c(c.... |
209 | 1QB9 | Ki = 36 nM | 806 | C31 H31 N5 O | [H]/N=C(/C.... |
210 | 2BLW | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
211 | 1O3B | Ki = 0.074 uM | 780 | C20 H16 N4 O | c1ccc(cc1).... |
212 | 1O2Z | Ki = 0.78 uM | 312 | C25 H20 N4 O6 | COc1ccccc1.... |
213 | 1K1L | Kd = 125 nM | FD3 | C24 H27 N5 O3 S | [H]/N=C(/c.... |
214 | 1O2O | Ki = 0.44 uM | 950 | C18 H19 F N4 O2 | CC(C)COc1c.... |
215 | 1C1Q | - | BAI | C16 H14 N6 | c1ccc2c(c1.... |
216 | 1F0U | Ki = 69 nM | RPR | C27 H30 N4 O3 | C[C@H]([C@.... |
217 | 1C2G | - | BAH | C17 H18 N8 O2 | c1cc2c(cc1.... |
218 | 1O37 | Ki = 0.15 uM | 653 | C22 H22 N5 O | c1ccc(cc1).... |
219 | 1O3F | Ki = 0.011 uM | 696 | C21 H17 N3 O | c1ccc(cc1).... |
220 | 1JIR | - | AML | C5 H13 N | CCCCCN |
221 | 1O2N | Ki = 0.81 uM | 762 | C20 H15 Cl N4 O | c1ccc(cc1).... |
222 | 1O3O | - | 785 | C15 H11 F3 N4 O2 | c1cc2c(cc1.... |
223 | 1CE5 | Ki = 18.4 uM | BEN | C7 H8 N2 | [H]/N=C(c1.... |
224 | 5MNB | Kd = 3.3 mM | 2AP | C5 H7 N2 | c1cc[nH+]c.... |
225 | 6DZF | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
226 | 5LH8 | - | 6WH | C31 H38 N6 O3 | COc1cc(ccc.... |
227 | 2ZHD | - | 12U | C22 H33 N5 O2 | [H]/N=C(/c.... |
228 | 1O2J | Ki = 0.12 uM | 656 | C18 H20 N4 O2 | CC(C)COc1c.... |
229 | 1AQ7 | ic50 = 0.9 uM | 34H DIL XPR AG2 | n/a | n/a |
230 | 1O3K | Ki = 0.17 uM | 334 | C15 H13 Br N4 O | Cc1cc(c(c(.... |
231 | 2G5V | - | 22M | C16 H15 N3 | [H]/N=C(c1.... |
232 | 1Y5U | Kd = 0.22 uM | TL4 | C20 H22 N4 O4 | c1cc(cc(c1.... |
233 | 6SVI | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
234 | 1J8A | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
235 | 6B6Q | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
236 | 1QB1 | Ki = 170 nM | 974 | C28 H27 F2 N6 O5 | Cn1ccnc1c2.... |
237 | 1O2W | Ki = 1.4 uM | 847 | C18 H13 Br N4 O5 | c1cc2c(cc1.... |
238 | 1XUF | Ki = 0.09 uM | BAZ | C17 H16 N8 Zn | [H]/N=C(c1.... |
239 | 1QBN | Ki = 1400 nM | 688 | C22 H17 N5 O5 | c1cc(cc(c1.... |
240 | 1O33 | Ki = 1.8 uM | 801 | C13 H11 N5 O | c1cc(c(nc1.... |
241 | 1V2O | Ki = 18.45 uM | ANH | C20 H24 N4 O5 S | Cc1ccc(cc1.... |
242 | 1C1N | - | BAM | C7 H9 N2 | c1ccc(cc1).... |
243 | 1UTN | Kd = 0.321 mM | ABN | C7 H9 N | c1ccc(cc1).... |
244 | 6SVD | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
245 | 6T0P | Ki = 62 uM | M6Q | C20 H25 N5 O2 | c1ccc(cc1).... |
246 | 6SVW | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
247 | 4NA8 | Ki = 1.5 nM | 1T6 | C31 H28 N4 O3 | [H]/N=C(/c.... |
248 | 5WB6 | Ki = 0.02 nM | 9ZM | C31 H26 Cl F N10 O4 | COC(=O)Nc1.... |
249 | 5Q0H | Ki = 12 nM | 9F1 | C27 H26 Cl F2 N5 O4 | Cc1cc(c(c(.... |
250 | 5TKT | Ki = 3.2 nM | 7DS | C28 H26 Cl N9 O4 | COC(=O)Nc1.... |
251 | 4CRG | - | J4X | C22 H18 N6 O | [H]/N=C(c1.... |
252 | 5EXL | Ki = 3.7 nM | 5SS | C28 H31 N5 O2 | c1ccc(cc1).... |
253 | 6TS5 | ic50 = 0.003 uM | NW2 | C27 H29 N O5 | CC(C)c1cc(.... |
254 | 6VLU | Ki = 149.1 nM | R2Y | C27 H37 F2 N5 O2 | CC(C)C[C@H.... |
255 | 5E2O | Ki = 2 nM | 5JM | C26 H21 Cl N6 O4 | c1ccc(cc1).... |
256 | 4CRB | Ki = 0.027 uM | 7P0 | C28 H24 Cl N7 O4 | c1ccc(cc1).... |
257 | 6TS6 | ic50 = 0.004 uM | NW5 | C27 H26 N2 O4 | CC(C)(C#N).... |
258 | 5TKS | Ki = 68 nM | 7DL | C29 H30 Cl2 N8 O3 | COC(=O)Nc1.... |
259 | 5QTY | Ki = 2.5 nM | QLJ | C32 H33 Cl N8 O5 | CCOC(=O)[C.... |
260 | 5Q0E | Ki = 0.69 nM | 9FD | C29 H30 Cl N9 O4 | C[C@H]1CCC.... |
261 | 4CRE | - | MVN | C10 H8 Cl N O | CC1=CC(=O).... |
262 | 4CRA | Ki = 0.06 uM | XJ8 | C29 H25 N5 O4 | c1ccc(cc1).... |
263 | 1ZHR | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
264 | 5E2P | Ki = 1.6 nM | 7P0 | C28 H24 Cl N7 O4 | c1ccc(cc1).... |
265 | 3BG8 | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
266 | 4X6P | Ki = 5 nM | 3YU | C28 H23 Cl N10 O | c1ccc(cc1).... |
267 | 5Q0D | Ki = 1 nM | 9EY | C27 H26 Cl N9 O4 | COC(=O)Nc1.... |
268 | 4X6O | Ki = 1.9 nM | 3Y4 | C29 H26 Cl2 N8 O3 | COC(=O)Nc1.... |
269 | 5EXN | Ki = 23 nM | 5SU | C31 H26 Cl N7 O3 | COC(=O)Nc1.... |
270 | 4CR9 | Ki = 80 uM | OTW | C10 H11 N3 | Cc1cc(nc2c.... |
271 | 6TS4 | ic50 = 2.8 uM | J7B | C22 H20 N2 O3 | c1ccc(c(c1.... |
272 | 6USY | Ki = 0.0004 uM | QGS | C28 H28 N2 O4 | CC(C)c1cc(.... |
273 | 4CRC | Ki = 0.0019 uM | OTM | C26 H21 Cl N10 O2 | c1ccc(cc1).... |
274 | 5QCL | Ki = 11 nM | BUY | C27 H21 Cl N6 O4 | c1ccc2c(c1.... |
275 | 1ZHM | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
276 | 5EXM | Ki = 6.3 nM | 5ST | C29 H34 N4 O3 | COC(=O)Nc1.... |
277 | 4TY7 | Ki = 0.3 nM | 39F | C26 H30 Cl N7 O | c1ccc(cc1).... |
278 | 5QTT | Ki = 3.4 nM | QEY | C30 H29 Cl F N7 O4 | C[C@@H]1CC.... |
279 | 6W50 | Ki = 0.3 nM | SWP | C31 H29 Cl F2 N4 O4 | C[C@@H]1CC.... |
280 | 5QQP | Ki = 5.3 nM | NR7 | C29 H30 Cl N5 O4 | COC(=O)Nc1.... |
281 | 6C0S | Ki = 89 nM | EEJ | C31 H31 Cl2 N9 O4 | CC(=O)N1CC.... |
282 | 4CRF | Ki = 0.0005 uM | R9B | C29 H23 Cl N4 O5 | c1ccc(cc1).... |
283 | 5QCN | Ki = 6 nM | BVM | C36 H34 Cl N7 O7 | CCOC(=O)[C.... |
284 | 6VLV | Ki = 5.33 nM | R3A | C19 H25 Cl N6 O4 S | [H]/N=C(/N.... |
285 | 5QTV | Ki = 1.1 nM | QLS | C28 H27 Cl F3 N9 O3 | COC(=O)Nc1.... |
286 | 4X6M | Ki = 5.8 nM | 3Y3 | C27 H26 Cl2 N8 O | c1ccc(cc1).... |
287 | 5QTW | Ki = 0.46 nM | QLM | C29 H30 Cl N9 O5 | COC(=O)[C@.... |
288 | 4CR5 | Ki = 70 uM | 0TU | C9 H6 Cl N O | c1cc2c(cc1.... |
289 | 4CRD | Ki = 0.08 uM | OTJ | C22 H22 Cl2 N8 O3 | COC(=O)Nc1.... |
290 | 5QCM | Ki = 110 nM | BVJ | C28 H23 Cl F N7 O4 | COC(=O)Nc1.... |
291 | 5NB6 | ic50 = 0.5 uM | 8S2 | C22 H21 F3 N6 O4 | c1ccc2c(c1.... |
292 | 6FTY | - | E7H | C20 H24 N4 O2 | c1cc2c(cc(.... |
293 | 6QMR | ic50 = 0.012 uM | J6T | C23 H23 N O4 | c1ccc(c(c1.... |
294 | 5NAW | ic50 = 0.05 uM | 8RZ | C23 H20 F3 N5 O4 | c1ccc2c(c1.... |
295 | 5MT0 | Kd ~ 500 uM | QJS | C19 H15 F N2 O3 | c1ccc(cc1).... |
296 | 6FUG | Kd = 50 uM | E85 | C18 H17 N7 O | c1cc(cc(c1.... |
297 | 5NAR | ic50 = 0.5 uM | 8RW | C22 H20 F3 N5 O4 | c1ccc2c(c1.... |
298 | 5FBE | ic50 = 14 uM | 5W5 | C22 H22 F3 N3 O5 | COC(=O)c1c.... |
299 | 6FUH | Kd = 170 uM | E88 | C20 H23 N5 O2 | CC(C)[C@@H.... |
300 | 5FBI | Kd = 1600 uM | 5WD | C17 H14 N2 O4 | c1cc(cc(c1.... |
301 | 6QMT | ic50 = 0.12 uM | J7B | C22 H20 N2 O3 | c1ccc(c(c1.... |
302 | 6FUT | Kd = 20 uM | E82 | C24 H24 N2 O | c1ccc2c(c1.... |
303 | 6FUJ | ic50 = 120 uM | E8B | C18 H22 N2 O | CC(C)CC(=O.... |
304 | 5FCK | Kd = 0.006 uM | 5WC | C23 H22 Cl F N6 O3 | C[C@H](c1c.... |
305 | 5NB7 | ic50 = 0.006 uM | 8NQ | C21 H19 Br N6 O3 | c1ccc2c(c1.... |
306 | 5MT4 | Kd ~ 500 uM | M7O | C15 H14 N2 O3 | c1ccc(cc1).... |
307 | 5NBA | ic50 = 0.05 uM | 8S5 | C22 H19 F4 N5 O4 | c1ccc2c(c1.... |
308 | 6FUI | Kd = 35 uM | E7W | C22 H25 N5 O2 | c1ccc2c(c1.... |
309 | 6FTZ | Kd = 1000 uM | E7E | C17 H16 N4 O2 | c1cc(cc(c1.... |
310 | 6A8N | Ki = 6.8 nM | CYS PRO ALA TYR SER ARG TYR ILE GLY CYS | n/a | n/a |
311 | 1ELC | - | 0Z3 | C26 H34 F3 N4 O3 | CC(C)c1ccc.... |
312 | 1ELD | Ki = 0.2 uM | 0Z0 | C21 H19 F6 N3 O3 | NULL |
313 | 7EST | - | 0Z2 | C18 H21 F6 N3 O3 | CC(C)C[C@@.... |
314 | 2BD4 | - | LYS TYR PRO PHE VAL GLU PRO ILE | n/a | n/a |
315 | 1ELB | Ki = 70 nM | 0Z4 | C23 H36 F3 N4 O3 | CC(C)C[C@@.... |
316 | 6TH7 | ic50 = 1.18 nM | O4Q 5XU ABA ILE ABA VAL N9K PHA AA4 | n/a | n/a |
317 | 1ELE | Ki = 0.14 uM | 0QN | C17 H19 F6 N3 O3 | NULL |
318 | 4GVU | ic50 = 30 nM | 6NA GLN THR DBU GLJ PHE YNM VAL | n/a | n/a |
319 | 1NES | - | ACE ALA PRO ALA | n/a | n/a |
320 | 2BDB | - | ALA ALA | n/a | n/a |
321 | 1BMA | Ki = 26 uM | 0QH | C27 H36 F3 N4 O3 | NULL |
322 | 2EST | - | 2Z5 | C18 H23 F6 N4 O3 | NULL |
323 | 1ELA | Ki = 0.44 uM | 0Z1 | C22 H32 F3 N4 O3 | CC(C)c1ccc.... |
324 | 1QR3 | ic50 = 0.26 uM | ALQ CIR THR DBU GLJ PHE TYJ VAL | n/a | n/a |
325 | 1BIT | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
326 | 1HJ8 | - | BAM | C7 H9 N2 | c1ccc(cc1).... |
327 | 1UTL | Ka = 293 M^-1 | PRA | C9 H13 N | c1ccc(cc1).... |
328 | 2TBS | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
329 | 2ZPQ | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
330 | 1UTJ | Kd = 0.144 mM | ABN | C7 H9 N | c1ccc(cc1).... |
331 | 1UTM | Ka = 243 M^-1 | PEA | C8 H12 N | c1ccc(cc1).... |
332 | 1MBQ | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
333 | 2ZPS | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
334 | 2ZPR | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
335 | 1L2E | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
336 | 3VFE | - | 0HL | C26 H26 N4 O4 S3 | [H]/N=C(c1.... |
337 | 6QH9 | - | J3B | C13 H16 N4 O2 | [H]/N=C(/c.... |
338 | 6QFH | ic50 = 1.38 uM | J08 | C23 H22 N6 O | [H]/N=C(/c.... |
339 | 6QHB | - | J2W | C15 H15 N3 O3 | [H]/N=C(/c.... |
340 | 6SKC | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
341 | 1LO6 | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
342 | 6QFF | ic50 = 2.04 uM | J08 | C23 H22 N6 O | [H]/N=C(/c.... |
343 | 6QHC | - | 135 | C14 H13 N3 O2 | [H]/N=C(c1.... |
344 | 4D8N | ic50 = 1.8 uM | 0HM | C24 H24 N5 O2 | c1ccc(cc1).... |
345 | 6QFG | ic50 = 3.01 uM | J08 | C23 H22 N6 O | [H]/N=C(/c.... |
346 | 6QHA | - | J2Q | C16 H17 N3 O3 | [H]/N=C(/c.... |
347 | 3P8G | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
348 | 1EAX | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
349 | 2GV6 | Ki = 0.046 uM | 730 | C28 H35 N7 O3 S | [H]/N=C(c1.... |
350 | 4R0I | Ki = 0.3 uM | 3KM | C27 H33 N5 O4 S | [H]/N=C(c1.... |
351 | 4O97 | Ki = 3 nM | NTX | C29 H34 N6 O3 | [H]/N=C(N).... |
352 | 2GV7 | Ki = 0.014 uM | 672 | C36 H54 N8 O4 S | [H]/N=C(c1.... |
353 | 4O9V | Ki = 10 nM | NT4 | C27 H30 N6 O3 | [H]/N=C(N).... |
354 | 1IAU | Ki = 80 nM | ACE ILE GLU PRO ASJ | n/a | n/a |
355 | 1ANE | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
356 | 1J16 | Ki = 143 uM | BEN | C7 H8 N2 | [H]/N=C(c1.... |
357 | 1J14 | Ki = 32.2 uM | BEN | C7 H8 N2 | [H]/N=C(c1.... |
358 | 1BRA | Ki = 15000 uM | BEN | C7 H8 N2 | [H]/N=C(c1.... |
359 | 1J15 | Ki = 143 uM | BEN | C7 H8 N2 | [H]/N=C(c1.... |
360 | 1TRM | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
361 | 1J17 | Ki = 6.05 uM | ZEN | C25 H27 Cl N4 O3 S | c1cc(cc2c1.... |
362 | 1ANC | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
363 | 1QL9 | Ki = 4.45 uM | ZEN | C25 H27 Cl N4 O3 S | c1cc(cc2c1.... |
364 | 1DPO | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
365 | 1AND | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
366 | 1W0Z | Ki = 21 nM | SI1 | C18 H29 N5 O5 S | [H]/N=C(c1.... |
367 | 4ZHL | Kd = 0.0147 uM | CYS PRO ALA TYR SER ARG TYR ILE GLY CYS | n/a | n/a |
368 | 2VIV | ic50 = 520 nM | VG2 | C22 H28 Cl N3 O2 | Cc1cc(cc(c.... |
369 | 1SC8 | Ki = 0.036 uM | 2IN | C20 H25 N5 O5 S | c1ccc(cc1).... |
370 | 1OWE | Ki = 0.631 uM | 675 | C18 H15 N3 O | [H]/N=C(/c.... |
371 | 4X1Q | - | CYS PRO ALA TYR SER ARG TYR LEU ASP CYS | n/a | n/a |
372 | 2VIP | ic50 = 5.2 uM | L1R | C18 H20 Cl2 N2 O3 | CC(C)Oc1cc.... |
373 | 5ZAF | Ki = 166 nM | 28I | C16 H21 N7 O2 | [H]/N=C(N).... |
374 | 1SQT | Ki = 0.63 uM | UI3 | C16 H16 N4 O3 S | [H]/N=C(/c.... |
375 | 1W13 | Ki = 2 nM | SM1 | C21 H28 N6 O5 S | [H]/N=C(/N.... |
376 | 1OWH | Ki = 40 nM | 239 | C19 H18 N4 O | [H]/N=C(/c.... |
377 | 1EJN | Ki = 2.4 uM | AGB | C19 H27 N5 O | [H]/N=C(/N.... |
378 | 4ZHM | Kd = 0.00081 uM | MRZ CYS PRO ALA TYR SER ALA TYR ILE GLY CYS | n/a | n/a |
379 | 2VIN | ic50 > 1 mM | 505 | C11 H17 N O | Cc1cccc(c1.... |
380 | 5ZA8 | Ki = 508 nM | 27I | C16 H23 N9 O | [H]/N=C(/N.... |
381 | 5ZA7 | Ki = 1356 nM | HMX | C12 H18 Cl N7 O | C1CCCN(CC1.... |
382 | 4X0W | - | MRZ CYS PRO ALA TYR SER DAL TYR LEU ASP CYS | n/a | n/a |
383 | 1U6Q | - | 745 | C20 H18 N2 | [H]/N=C(/c.... |
384 | 5ZA9 | Ki = 183 nM | 50I | C20 H23 N7 O2 | [H]/N=C(/N.... |
385 | 2VIQ | ic50 = 1.3 uM | D55 | C21 H28 N2 O4 | CCOc1ccc(c.... |
386 | 4X1P | - | CYS PRO ALA TYR SER DAL TYR LEU ASP CYS MRZ | n/a | n/a |
387 | 6NMB | Ki = 2.01 mM | AMH | C8 H15 N O2 | C1CC(CCC1C.... |
388 | 5ZAG | Ki = 108 nM | 94I | C16 H21 N9 O | [H]/N=C(N).... |
389 | 5ZC5 | Ki = 88 nM | 09I | C20 H22 F N7 O2 | [H]/N=C(/N.... |
390 | 1VJ9 | Ki = 0.028 uM | 5IN | C28 H33 N5 O6 S | c1ccc(cc1).... |
391 | 1F5K | Ki = 180 uM | BAM | C7 H9 N2 | c1ccc(cc1).... |
392 | 5ZAE | Ki = 156 nM | EAU | C16 H21 N7 O2 | [H]/N=C(/N.... |
393 | 1OWD | Ki = 6.3 nM | 497 | C23 H24 N4 O | CC[C@H]1CN.... |
394 | 2VNT | Ki = 9.9 nM | QGG | C15 H16 Cl N5 O4 S | c1cc2c(cc1.... |
395 | 2VIO | ic50 = 40 uM | L1O | C9 H9 Cl2 N O3 | c1c(cc(c(c.... |
396 | 1F5L | Ki = 5.3 uM | AMR | C6 H8 Cl N7 O | c1(c(nc(c(.... |
397 | 5ZAJ | Ki = 42 nM | 32I | C18 H25 N9 O3 | [H]/N=C(/N.... |
398 | 2R2W | Ki = 34 uM | 4PG | C15 H15 N3 O | [H]/N=C(/N.... |
399 | 2VIW | ic50 = 72 nM | D56 | C24 H32 Cl N3 O3 | CCOc1c(cc(.... |
400 | 1W11 | Ki = 6 nM | SK1 | C21 H27 N5 O5 S | [H]/N=C(c1.... |
401 | 1SQA | Ki = 0.00062 uM | UI1 | C23 H21 N7 O | c1cnc(nc1).... |
402 | 1VJA | Ki = 0.02 uM | 7IN | C21 H27 N5 O6 S | c1ccc(cc1).... |
403 | 1SQO | Ki = 0.035 uM | UI2 | C15 H13 N5 | c1cc2ccc(c.... |
404 | 1GDN | - | GLY ALA LYS | n/a | n/a |
405 | 1FY5 | - | GLY ALA LYS | n/a | n/a |
406 | 1FY4 | - | GLY ALA ARG | n/a | n/a |
407 | 1PQ8 | - | GLY GLY ARG | n/a | n/a |
408 | 1FN8 | - | GLY ALA ARG | n/a | n/a |
409 | 1PQ7 | - | ARG | C6 H15 N4 O2 | C(C[C@@H](.... |
410 | 1PQ5 | - | ARG | C6 H15 N4 O2 | C(C[C@@H](.... |
411 | 1H4W | Ki = 22 uM | BEN | C7 H8 N2 | [H]/N=C(c1.... |
412 | 5TP0 | Ki = 3.66 uM | BRN | C14 H15 N7 | c1cc(ccc1C.... |
413 | 1T32 | Ki = 38 nM | OHH | C40 H35 N2 O6 P | CN(C1CCN(C.... |
414 | 4K60 | ic50 = 570 uM | 1P8 | C8 H6 Br N O | c1cc2c(cc1.... |
415 | 1T31 | Ki = 2.3 nM | OHH | C40 H35 N2 O6 P | CN(C1CCN(C.... |
416 | 4K5Z | - | 1P7 | C8 H6 Cl N O | c1cc2c(cc1.... |
417 | 3N7O | Ki = 72 nM | N7O | C19 H15 Cl F2 N O3 P S | C[P@@](=O).... |
418 | 3S0N | ic50 = 180 nM | 0BB | C21 H20 N2 O3 S | Cc1cccc2c1.... |
419 | 5YJM | Kd = 0.000000064 M | 8W3 | C30 H32 Cl N5 O6 | CC[C@H](c1.... |
420 | 4K2Y | ic50 = 470 uM | ES2 | C8 H6 Cl N O | c1cc2c(cc1.... |
421 | 5YJP | ic50 = 0.24 uM | 8W6 | C26 H31 Cl N4 O6 | CC[C@H](c1.... |
422 | 4K69 | ic50 = 0.04 uM | 1P9 | C22 H22 Br N3 O4 | CCC[C@@H](.... |
423 | 1OSS | Ki = 16.4 uM | BEN | C7 H8 N2 | [H]/N=C(c1.... |
424 | 3BEU | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
425 | 5XWL | - | ACE THR ARG GLU | n/a | n/a |
426 | 5XWJ | - | ACE THR ARG GLU | n/a | n/a |
427 | 1V6D | - | PRO ASP AIB LEU AIB LEU ALA TBF NME | n/a | n/a |
428 | 1YF4 | Ki = 5 nM | CYS TYR PHE GLN ASN CYS PRO ARG GLY NH2 | n/a | n/a |
429 | 1S6H | - | 4BZ | C8 H10 N2 O | [H]/N=C(c1.... |
430 | 1S83 | - | 4HA | C4 H12 N O | C(CCO)C[NH.... |
431 | 1S5S | - | PG3 | C4 H12 N3 O | C(CNC(=[NH.... |
432 | 5A09 | ic50 = 3.5 nM | JJD | C23 H18 F3 N3 O4 | CC1=C([C@H.... |
433 | 5A8X | ic50 = 6.5 nM | IUY | C24 H20 F3 N4 O2 | CCOC(=O)C1.... |
434 | 5ABW | ic50 = 17 nM | WQQ | C26 H24 Cl N3 O5 S | Cc1c(c(on1.... |
435 | 5A8Y | ic50 = 0.17 nM | VBM | C23 H16 F3 N7 O2 | CC1=C([C@H.... |
436 | 5A0B | ic50 = 5 nM | JJX | C29 H29 F3 N6 O2 | CC1=C([C@H.... |
437 | 5A8Z | ic50 = 28 nM | IUL | C21 H16 F3 N5 O2 | CN1CC2=C([.... |
438 | 3Q77 | ic50 = 6 nM | 2HY | C22 H18 F3 N3 O4 | CC1=C([C@H.... |
439 | 5A0C | ic50 = 0.54 nM | JJV | C21 H15 F3 N4 O3 S | CC1=C([C@H.... |
440 | 5A0A | Ki = 15 nM | JJS | C20 H15 F3 N4 O2 | CC1=C([C@H.... |
441 | 2AIQ | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
442 | 2OQ5 | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
443 | 5F03 | - | 5TA | C24 H20 Cl N3 O3 | c1cc(cc(c1.... |
444 | 2ZA5 | Ki = 3.7 nM | 2FF | C26 H24 N2 O3 | c1ccc(cc1).... |
445 | 2FPZ | Ki = 110 uM | 270 | C7 H7 N3 | C1=CC2=NC(.... |
446 | 2BM2 | Ki = 15 nM | PM2 | C26 H29 N3 O | c1ccc(cc1).... |
447 | 3V7T | Ki = 62 nM | 0GX | C23 H28 Br F N2 O2 S | CCCOc1c(c(.... |
448 | 2ZEB | - | 11M | C23 H24 N2 O2 S2 | CSc1c2cccc.... |
449 | 4A6L | Ki = 10 nM | P43 | C25 H23 F N2 O2 | c1ccc(c(c1.... |
450 | 2ZEC | - | 11N | C22 H24 N2 O2 | c1ccc(cc1).... |
451 | 4NFE | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
452 | 2ANW | - | BAM | C7 H9 N2 | c1ccc(cc1).... |
453 | 2ANY | - | BAM | C7 H9 N2 | c1ccc(cc1).... |
454 | 5TJX | - | GBT | C29 H33 N7 O3 | Cc1c2c(cc(.... |
455 | 6O1S | - | 7SD | C23 H25 N7 O | Cc1cc(nc(c.... |
456 | 6T7P | Ki = 0.97 uM | MU8 | C26 H24 Cl N3 O3 | c1ccc(cc1).... |
457 | 6QFE | ic50 = 0.08 uM | J08 | C23 H22 N6 O | [H]/N=C(/c.... |
458 | 6B74 | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
459 | 1A0J | - | BEN | C7 H8 N2 | [H]/N=C(c1.... |
460 | 2ZGJ | - | SER SER GLY LYS VAL PRO LEU SER | n/a | n/a |
461 | 2ZGH | - | SER SER GLY LYS VAL PRO LEU | n/a | n/a |
462 | 2BDG | - | PBZ | C7 H10 N3 | c1cc(ccc1C.... |
463 | 5Y9L | ic50 = 1.9 uM | 8R3 | C24 H28 Cl N5 O5 | CN(C)/N=C1.... |
464 | 5YJK | ic50 = 0.82 uM | 8VX | C24 H30 Cl N5 O5 S | CN(C)/N=C1.... |
465 | 5FAH | ic50 = 0.7 uM | 5VT | C26 H29 N3 O3 | COc1ccc(cc.... |
466 | 3TJV | - | PRO THR SER TYR ALA GLY ASP ASP SER GLY | n/a | n/a |
467 | 6AHS | ic50 = 1.5 uM | 9YO | C19 H18 Cl N3 O2 S | Cc1ccc2c(c.... |
468 | 5ZFI | ic50 = 1.2 uM | 9C9 | C26 H29 Cl2 N7 O2 | Cn1cc(cn1).... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | N4B | 0.9871 |
2 | LT1 | 0.9855 |
3 | NYL | 0.9848 |
4 | HY1 | 0.9733 |
5 | 258 | 0.9730 |
6 | PEL | 0.9721 |
7 | HCI | 0.9719 |
8 | 264 | 0.9694 |
9 | BNF | 0.9691 |
10 | 268 | 0.9690 |
11 | PAC | 0.9684 |
12 | MNN | 0.9669 |
13 | 271 | 0.9666 |
14 | 1DJ | 0.9661 |
15 | MXN | 0.9643 |
16 | B40 | 0.9638 |
17 | GJZ | 0.9625 |
18 | 49F | 0.9618 |
19 | FK8 | 0.9567 |
20 | PO6 | 0.9566 |
21 | 3H2 | 0.9552 |
22 | FAN | 0.9551 |
23 | TCA | 0.9544 |
24 | J0Z | 0.9539 |
25 | QY9 | 0.9532 |
26 | CEE | 0.9492 |
27 | 263 | 0.9481 |
28 | PHE | 0.9476 |
29 | SMN | 0.9471 |
30 | YPN | 0.9464 |
31 | M4T | 0.9460 |
32 | BHO | 0.9457 |
33 | S8V | 0.9452 |
34 | HSM | 0.9450 |
35 | HC4 | 0.9449 |
36 | XIZ | 0.9441 |
37 | NFA | 0.9441 |
38 | K7M | 0.9440 |
39 | I1E | 0.9438 |
40 | 2LP | 0.9436 |
41 | XIY | 0.9431 |
42 | JZ7 | 0.9430 |
43 | LYS | 0.9429 |
44 | OGA | 0.9417 |
45 | R9M | 0.9415 |
46 | F9P | 0.9414 |
47 | 2BG | 0.9413 |
48 | YRL | 0.9411 |
49 | 4FA | 0.9410 |
50 | 7C3 | 0.9408 |
51 | NIZ | 0.9406 |
52 | URO | 0.9398 |
53 | AKG | 0.9394 |
54 | CXF | 0.9391 |
55 | HIS | 0.9390 |
56 | ISZ | 0.9388 |
57 | HFA | 0.9387 |
58 | HPP | 0.9387 |
59 | PHU | 0.9386 |
60 | FEH | 0.9378 |
61 | TPA | 0.9378 |
62 | CXP | 0.9376 |
63 | 9RW | 0.9373 |
64 | HSO | 0.9370 |
65 | FBM | 0.9366 |
66 | URS | 0.9353 |
67 | I4B | 0.9352 |
68 | F06 | 0.9348 |
69 | 4HP | 0.9344 |
70 | SSB | 0.9343 |
71 | TYL | 0.9339 |
72 | CLT | 0.9339 |
73 | 4WL | 0.9337 |
74 | ORN | 0.9336 |
75 | 269 | 0.9335 |
76 | AEF | 0.9332 |
77 | DE5 | 0.9332 |
78 | TZE | 0.9328 |
79 | AEG | 0.9328 |
80 | GLU | 0.9323 |
81 | RBJ | 0.9323 |
82 | 3QM | 0.9319 |
83 | SYC | 0.9318 |
84 | S0W | 0.9315 |
85 | 1LN | 0.9315 |
86 | M3H | 0.9314 |
87 | 4VY | 0.9309 |
88 | 261 | 0.9309 |
89 | HPS | 0.9304 |
90 | DPN | 0.9303 |
91 | BHH | 0.9302 |
92 | 4ZA | 0.9300 |
93 | 2HC | 0.9297 |
94 | ESP | 0.9296 |
95 | QBM | 0.9290 |
96 | MET | 0.9284 |
97 | PH3 | 0.9283 |
98 | F90 | 0.9282 |
99 | BZ2 | 0.9281 |
100 | OHP | 0.9281 |
101 | DGN | 0.9279 |
102 | GRO | 0.9277 |
103 | AHC | 0.9277 |
104 | 1L5 | 0.9272 |
105 | 4P5 | 0.9270 |
106 | Q9Z | 0.9269 |
107 | 3HP | 0.9267 |
108 | LDP | 0.9265 |
109 | GOJ | 0.9262 |
110 | MUC | 0.9262 |
111 | PBA | 0.9261 |
112 | M58 | 0.9258 |
113 | RSO | 0.9255 |
114 | ESX | 0.9254 |
115 | PIM | 0.9252 |
116 | CFI | 0.9250 |
117 | P80 | 0.9245 |
118 | PPY | 0.9243 |
119 | FP1 | 0.9240 |
120 | P7Y | 0.9238 |
121 | PMF | 0.9237 |
122 | N9J | 0.9236 |
123 | O45 | 0.9234 |
124 | ICB | 0.9234 |
125 | 6PC | 0.9233 |
126 | 6FZ | 0.9230 |
127 | XBT | 0.9230 |
128 | B85 | 0.9225 |
129 | DLY | 0.9224 |
130 | P81 | 0.9224 |
131 | LNR | 0.9223 |
132 | SPA | 0.9220 |
133 | 7VP | 0.9216 |
134 | FBJ | 0.9215 |
135 | TYE | 0.9212 |
136 | 1M2 | 0.9210 |
137 | 069 | 0.9210 |
138 | HL4 | 0.9209 |
139 | SS2 | 0.9209 |
140 | S2P | 0.9207 |
141 | RMN | 0.9206 |
142 | HF2 | 0.9205 |
143 | LSQ | 0.9204 |
144 | 173 | 0.9203 |
145 | PPT | 0.9202 |
146 | BSX | 0.9201 |
147 | QMP | 0.9199 |
148 | HHI | 0.9196 |
149 | J9T | 0.9195 |
150 | GLN | 0.9195 |
151 | 9ON | 0.9193 |
152 | PZI | 0.9190 |
153 | DTY | 0.9187 |
154 | KMT | 0.9185 |
155 | APG | 0.9185 |
156 | RJY | 0.9179 |
157 | P58 | 0.9178 |
158 | PIY | 0.9175 |
159 | PRY | 0.9174 |
160 | A5E | 0.9172 |
161 | NFM | 0.9171 |
162 | OTR | 0.9170 |
163 | MED | 0.9168 |
164 | A09 | 0.9167 |
165 | INO | 0.9164 |
166 | MES | 0.9162 |
167 | DHY | 0.9162 |
168 | BNS | 0.9160 |
169 | MPV | 0.9159 |
170 | N6C | 0.9158 |
171 | 42J | 0.9153 |
172 | TZL | 0.9150 |
173 | 2IT | 0.9149 |
174 | GGL | 0.9149 |
175 | TYR | 0.9149 |
176 | HX4 | 0.9148 |
177 | ONH | 0.9147 |
178 | JZ4 | 0.9141 |
179 | IZC | 0.9139 |
180 | PYJ | 0.9139 |
181 | HHH | 0.9137 |
182 | SS1 | 0.9137 |
183 | 717 | 0.9136 |
184 | NLE | 0.9134 |
185 | 2CO | 0.9130 |
186 | PBC | 0.9129 |
187 | OK7 | 0.9128 |
188 | ALE | 0.9128 |
189 | ZBT | 0.9126 |
190 | BEZ | 0.9124 |
191 | 9CL | 0.9123 |
192 | 4LV | 0.9117 |
193 | SHI | 0.9117 |
194 | IXW | 0.9115 |
195 | AX3 | 0.9115 |
196 | S2G | 0.9114 |
197 | 3C4 | 0.9112 |
198 | ONL | 0.9111 |
199 | 2HG | 0.9111 |
200 | YZM | 0.9110 |
201 | J6W | 0.9110 |
202 | COI | 0.9109 |
203 | 3GZ | 0.9108 |
204 | SHV | 0.9106 |
205 | R2P | 0.9105 |
206 | HPN | 0.9101 |
207 | M6H | 0.9100 |
208 | AG2 | 0.9098 |
209 | 6NT | 0.9096 |
210 | OKG | 0.9094 |
211 | 3YP | 0.9093 |
212 | R20 | 0.9093 |
213 | DIR | 0.9092 |
214 | 0HN | 0.9090 |
215 | VKC | 0.9089 |
216 | ABV | 0.9087 |
217 | F4E | 0.9084 |
218 | 6NA | 0.9084 |
219 | CPZ | 0.9082 |
220 | 8OZ | 0.9082 |
221 | HDH | 0.9081 |
222 | PMB | 0.9078 |
223 | 54D | 0.9077 |
224 | 4ZD | 0.9077 |
225 | MSR | 0.9075 |
226 | H8N | 0.9073 |
227 | ACA | 0.9073 |
228 | 7N0 | 0.9071 |
229 | 4LW | 0.9070 |
230 | B2J | 0.9068 |
231 | ZZ2 | 0.9067 |
232 | 1F1 | 0.9066 |
233 | 5XA | 0.9064 |
234 | SLZ | 0.9063 |
235 | SYN | 0.9063 |
236 | AOT | 0.9060 |
237 | OEG | 0.9060 |
238 | BNL | 0.9058 |
239 | ASC | 0.9057 |
240 | 11C | 0.9056 |
241 | NCA | 0.9056 |
242 | TIH | 0.9055 |
243 | 3NY | 0.9052 |
244 | 2ZM | 0.9051 |
245 | BAM | 0.9051 |
246 | B24 | 0.9051 |
247 | OOG | 0.9050 |
248 | 6Q3 | 0.9047 |
249 | 5WZ | 0.9046 |
250 | PTU | 0.9045 |
251 | M6W | 0.9045 |
252 | DGL | 0.9045 |
253 | 7OD | 0.9044 |
254 | PCA | 0.9043 |
255 | PNZ | 0.9043 |
256 | DHB | 0.9041 |
257 | GWM | 0.9040 |
258 | Q03 | 0.9040 |
259 | PG3 | 0.9039 |
260 | BEN | 0.9039 |
261 | NTN | 0.9038 |
262 | 8ZE | 0.9038 |
263 | AHN | 0.9037 |
264 | KOJ | 0.9035 |
265 | TB8 | 0.9035 |
266 | JAW | 0.9034 |
267 | GUA | 0.9034 |
268 | KTW | 0.9034 |
269 | 5XC | 0.9033 |
270 | AX7 | 0.9032 |
271 | ASP | 0.9032 |
272 | LYL | 0.9031 |
273 | SHO | 0.9031 |
274 | HBA | 0.9030 |
275 | DAV | 0.9030 |
276 | HTX | 0.9030 |
277 | KTA | 0.9029 |
278 | HL5 | 0.9028 |
279 | LYN | 0.9028 |
280 | 52C | 0.9027 |
281 | 61M | 0.9027 |
282 | ENO | 0.9025 |
283 | NIO | 0.9025 |
284 | 97T | 0.9024 |
285 | TSS | 0.9024 |
286 | 6TZ | 0.9019 |
287 | AS3 | 0.9018 |
288 | NTU | 0.9018 |
289 | 5LA | 0.9016 |
290 | YCP | 0.9016 |
291 | HQJ | 0.9015 |
292 | M74 | 0.9014 |
293 | TYC | 0.9013 |
294 | CUW | 0.9012 |
295 | 51F | 0.9011 |
296 | L5V | 0.9011 |
297 | 36Y | 0.9010 |
298 | 4TB | 0.9010 |
299 | K34 | 0.9010 |
300 | 7WG | 0.9008 |
301 | 1DU | 0.9007 |
302 | DEW | 0.9005 |
303 | PHB | 0.9004 |
304 | BCU | 0.9004 |
305 | OHJ | 0.9004 |
306 | EOL | 0.9004 |
307 | DEE | 0.9003 |
308 | NCT | 0.9003 |
309 | JFJ | 0.9002 |
310 | EV0 |