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- 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 1 families. | |||||
1 | 6GQU | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
2 | 1UY7 | ic50 > 200 uM | PU4 | C17 H21 N5 O | CCCCn1c(nc.... |
3 | 3B24 | Kd = 0.042 mM | B2J | C6 H10 N4 S | CCSc1nc(nc.... |
4 | 3EKR | Ki = 0.03 uM | PY9 | C18 H19 N O3 | Cc1ccccc1[.... |
5 | 5J9X | Kd = 0.000000064 M | 6GC | C20 H21 F N4 O4 | CCCCN(C)C(.... |
6 | 3R4N | Ki = 0.13 uM | FU5 | C15 H15 Cl F3 N3 O | Cc1cc(nc(n.... |
7 | 2YEG | - | XQG | C6 H6 N4 S | CSc1c2c([n.... |
8 | 3OWD | - | MEY | C24 H18 Cl N3 O5 S | c1ccc2c(c1.... |
9 | 5LNY | Kd = 42 nM | 70K | C25 H29 N5 O4 | CN(c1ccc(c.... |
10 | 3BMY | ic50 = 0.03 uM | CXZ | C19 H20 Cl N3 O4 | c1cc2c(cc1.... |
11 | 3VHD | Kd = 0.52 nM | VHE | C19 H23 N5 O2 S | Cc1cc(c2cc.... |
12 | 2XJJ | Kd = 0.31 uM | L81 | C19 H20 N2 O2 | CC1(CNc2c1.... |
13 | 2YE3 | - | VXX | C9 H10 O4 | COc1cc(ccc.... |
14 | 6GPH | - | A12 | C11 H17 N5 O9 P2 | c1nc(c2c(n.... |
15 | 6EL5 | Kd = 0.000000064 M | PU1 | C20 H21 Cl F N5 O3 | COc1cc(c(c.... |
16 | 1UY8 | ic50 = 75 uM | PU5 | C17 H21 N5 O | CCCCn1c(nc.... |
17 | 3T10 | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
18 | 4CWR | Ki = 0.005 uM | HAJ | C17 H12 F N5 O2 | c1cc2c(c(c.... |
19 | 3EKO | Ki = 0.2 uM | PYU | C11 H9 N O4 | c1ccn(c1)C.... |
20 | 4XIP | Ki = 235 nM | 40W | C18 H20 N2 O2 | Cc1cn(c2c1.... |
21 | 1UYE | ic50 > 200 uM | PU9 | C20 H22 Cl N5 O3 | COc1cc(c(c.... |
22 | 4O07 | Ki = 0.042 uM | FGH | C27 H35 N3 O2 | CC(C)Cc1cc.... |
23 | 2JJC | - | LGA | C4 H5 N3 | c1cnc(nc1).... |
24 | 2YI5 | Kd = 39 nM | YI5 | C16 H13 Cl N2 O4 S | COc1ccc(cc.... |
25 | 1UY9 | ic50 = 15.3 uM | PU6 | C17 H19 N5 O2 | CCCCn1c(nc.... |
26 | 6EI5 | Kd = 3.83 nM | B5Q | C25 H23 N5 O | CNCc1ccccc.... |
27 | 3OWB | - | BSM | C19 H18 Cl N3 O4 | CCNC(=O)c1.... |
28 | 2YKB | - | YKB | C23 H19 N5 O2 | c1ccc2c(c1.... |
29 | 2QG2 | Ki = 4 uM | A91 | C17 H15 N5 O2 | Cc1cc(nc(n.... |
30 | 4B7P | Kd = 0.346 nM | 9UN | C22 H22 N4 O7 | CN1CCC(CC1.... |
31 | 4EFT | ic50 = 85 uM | EFT | C16 H19 N3 O | c1cc2c(cc1.... |
32 | 2WI6 | ic50 = 0.23 uM | ZZ6 | C15 H12 Cl2 N4 O S | CCNC(=O)c1.... |
33 | 2YEH | - | 2KU | C9 H13 N5 O | COCCCNc1c2.... |
34 | 6GR5 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
35 | 4L94 | - | S46 | C12 H16 N2 O2 | CN1CCN(CC1.... |
36 | 6GPP | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
37 | 2YKE | - | YKE | C29 H19 N5 O | c1cc(c2ccc.... |
38 | 4O04 | Ki = 0.69 uM | 2Q8 | C21 H25 N3 O2 | CC1(Cc2c(c.... |
39 | 2YE5 | - | 2A7 | C7 H8 O3 | COc1cc(cc(.... |
40 | 3FT5 | ic50 = 15 uM | MO8 | C8 H11 N3 S | Cc1c2c(nc(.... |
41 | 2XDU | - | LGA | C4 H5 N3 | c1cnc(nc1).... |
42 | 2YEB | - | 2K4 | C7 H6 N2 O | c1cc2cn[nH.... |
43 | 3B26 | Kd = 0.23 uM | B2L | C17 H15 N3 O | Cc1cc(nc(n.... |
44 | 4XIQ | Ki = 86 nM | 40Y | C20 H22 N2 O3 | Cc1c2n(c3c.... |
45 | 3T0Z | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
46 | 6GQS | - | A12 | C11 H17 N5 O9 P2 | c1nc(c2c(n.... |
47 | 4L8Z | ic50 = 18.7 uM | RL1 | C22 H17 Br N4 O3 | c1ccc2c(c1.... |
48 | 2YK9 | - | YK9 | C19 H11 N3 O | c1ccc2c(c1.... |
49 | 6EYA | Kd = 33 nM | C4K | C24 H21 N3 O4 | Cc1cccc(c1.... |
50 | 5M4H | - | 7FX | C14 H12 F3 N3 O3 | c1cc(c(cc1.... |
51 | 4AWQ | ic50 = 479 nM | 592 | C29 H32 N4 O3 | Cc1c(cccc1.... |
52 | 2VCJ | ic50 = 0.021 uM | 2EQ | C23 H24 Cl N3 O5 | CCNC(=O)c1.... |
53 | 3RLR | Ki = 0.03 uM | 3RR | C16 H12 Cl2 N4 O | Cc1c(c2c(n.... |
54 | 2XDX | Kd = 0.35 uM | WOE | C11 H10 Cl N3 O | COc1ccccc1.... |
55 | 6ELO | Kd = 0.000000064 M | BAW | C18 H17 F N2 O2 | CCc1cc(c(c.... |
56 | 3HEK | Ki = 5.4 nM | BD0 | C22 H24 Cl F2 N2 O3 | c1cc(ccc1C.... |
57 | 2XHT | Kd = 1.1 uM | C0Y | C15 H21 N O3 | CC(C)(C)c1.... |
58 | 2YEE | - | 2EC | C7 H9 N5 | CCn1cnc2c1.... |
59 | 3K98 | Ki < 1 nM | 1RC | C18 H17 Cl N2 O4 | CCNC(=O)[C.... |
60 | 3INX | ic50 = 0.022 uM | JZC | C24 H30 N2 O6 | c1c(cc(c2c.... |
61 | 2WI3 | ic50 = 350 uM | ZZ3 | C5 H8 N4 S | Cc1nc(nc(n.... |
62 | 3B27 | Kd = 6.9 uM | B2T | C10 H9 Cl N4 S | CSc1nc(nc(.... |
63 | 4BQG | - | 50Q | C12 H8 Cl2 O3 | c1cc(c(cc1.... |
64 | 1UYD | ic50 > 200 uM | PU8 | C19 H24 Cl N5 O3 | CCCCn1c(nc.... |
65 | 2FWZ | ic50 = 50 nM | H71 | C18 H21 I N6 O2 S | CC(C)NCCCn.... |
66 | 2BYI | ic50 = 0.461 uM | 2DD | C17 H15 Cl N4 O5 S | c1cc(ccc1C.... |
67 | 4XIT | Ki = 41 nM | 40Z | C25 H26 Cl N3 O3 | Cc1c2n(c3c.... |
68 | 3VHA | Kd = 40 nM | VHA | C21 H21 N3 O2 S | Cc1ccc2cc1.... |
69 | 6U98 | Ki = 378 nM | Q2D | C25 H24 F I N6 O4 S2 | c1cc(cc(c1.... |
70 | 5J8U | Kd = 0.000000064 M | 6DL | C14 H9 Br F N3 O3 | c1ccc(c(c1.... |
71 | 5J6N | - | 6FF | C18 H19 F N4 O5 S | CCCN(C)S(=.... |
72 | 5FNC | Kd = 77 uM | IEE | C12 H13 Cl N4 | Cc1ccc(cc1.... |
73 | 5J6M | Kd = 0.000000064 M | 6FJ | C21 H17 F N4 O5 | CN(Cc1ccco.... |
74 | 1UYG | ic50 = 53.5 uM | PU2 | C14 H14 F N5 O2 | COc1ccc(c(.... |
75 | 3D0B | Kd = 0.29 uM | SNX | C22 H23 N3 O3 | COCCNc1cc(.... |
76 | 2WI4 | ic50 = 1.56 uM | ZZ4 | C16 H11 Cl2 N5 | c1ccc(cc1).... |
77 | 2YEJ | - | XQK | C9 H9 N3 O3 | Cc1c(c([nH.... |
78 | 4AWO | ic50 = 24 nM | 99B | C29 H37 N5 O3 | CC[C@@H](C.... |
79 | 1UYI | ic50 = 4.1 uM | PUZ | C19 H20 F N5 O2 | COc1ccc(c(.... |
80 | 1BYQ | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
81 | 1UY6 | ic50 > 200 uM | PU3 | C19 H25 N5 O3 | CCCCn1c(nc.... |
82 | 4CWF | Ki = 32.4 uM | H05 | C12 H13 N5 | CCCc1nc2cc.... |
83 | 4W7T | ic50 = 0.9 uM | 3JC | C15 H15 N3 O | Cc1c2c(nc(.... |
84 | 2XJX | Kd = 0.71 nM | XJX | C24 H31 N3 O3 | CC(C)c1cc(.... |
85 | 4AWP | ic50 = 81 nM | 99A | C30 H33 N5 O3 | Cc1cc(c(cc.... |
86 | 2XJG | Kd = 0.015 uM | XJG | C19 H21 N O3 | CC(C)c1cc(.... |
87 | 4CWT | Ki = 0.179 uM | IK9 | C19 H17 F N6 O3 | c1cc2c(cc1.... |
88 | 6CYG | Kd = 68 uM | N5O | C12 H16 N6 O5 | c1nc(c2c(n.... |
89 | 4O09 | Ki = 0.02 uM | 2R6 | C24 H30 N2 O2 | Cc1cn(c2c1.... |
90 | 2BT0 | ic50 = 5.7 uM | CT5 | C20 H20 N2 O4 | CCc1cc(c(c.... |
91 | 2QG0 | Ki = 1.9 uM | A94 | C17 H19 N5 O4 S | Cc1cc(nc(n.... |
92 | 2XK2 | Kd = 10 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
93 | 6HHR | - | G5E | C14 H10 F N3 O2 S | c1ccc(c(c1.... |
94 | 3R91 | ic50 = 0.092 uM | 06H | C25 H32 N4 O3 | Cc1c2n(c3c.... |
95 | 2CCS | ic50 = 2 uM | 4BH | C13 H15 Cl N4 O2 | c1c(c(cc(c.... |
96 | 2YKJ | - | YKJ | C25 H18 N6 O | c1ccc2c(c1.... |
97 | 6OLX | Kd = 4.15 uM | KFY | C19 H23 N5 O3 | C/C=C/Cn1c.... |
98 | 6GPY | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
99 | 5OCI | Kd = 9 nM | 9R8 | C27 H28 N4 O3 | Cc1cccc(c1.... |
100 | 4FCP | - | 42C | C7 H9 N5 | CN(C)c1c2c.... |
101 | 5J2X | Kd = 0.000000064 M | 6DL | C14 H9 Br F N3 O3 | c1ccc(c(c1.... |
102 | 3WHA | Kd = 0.48 nM | WHA | C19 H18 Cl N5 O2 S | c1cc2c3c(c.... |
103 | 6GR3 | - | AN2 | C10 H16 N6 O9 P2 | c1nc(c2c(n.... |
104 | 6EY8 | Kd = 1.55 uM | C4T | C23 H20 Cl N3 O2 | CN(Cc1ccc(.... |
105 | 2YEA | - | 2A9 | C8 H10 O3 | COc1ccc(cc.... |
106 | 2YI7 | Kd = 4.8 nM | BZ8 | C16 H13 Cl N2 O3 S | CCOc1ccc(c.... |
107 | 2YE2 | - | XQI | C9 H10 O4 | COC(=O)Cc1.... |
108 | 6F1N | Kd = 0.000000064 M | C8W | C20 H19 N5 O5 S | COc1ccc(cc.... |
109 | 4CWO | Ki = 6.1 uM | T62 | C16 H13 N5 O2 | c1ccc2c(c1.... |
110 | 5J8M | Kd = 0.000000064 M | 6DL | C14 H9 Br F N3 O3 | c1ccc(c(c1.... |
111 | 4U93 | ic50 = 0.013 uM | 990 | C20 H18 F N5 O2 | Cc1c2c(nc(.... |
112 | 4CWS | Ki = 0.012 uM | G3R | C19 H18 N6 O3 | c1cc2c(cc1.... |
113 | 2BYH | ic50 = 0.258 uM | 2D7 | C18 H14 Cl N3 O4 | CC(=O)c1cc.... |
114 | 4EGI | ic50 = 150 uM | B2J | C6 H10 N4 S | CCSc1nc(nc.... |
115 | 1OSF | - | KOS | C32 H48 N4 O8 | C[C@H]1C[C.... |
116 | 3K97 | Ki = 10 nM | 4CD | C18 H18 Cl N O3 | Cc1ccccc1[.... |
117 | 2YED | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
118 | 6CEO | - | D57 | C22 H22 N2 O6 | COC(=O)c1c.... |
119 | 2YKC | - | YKC | C25 H17 N5 O | c1ccc2c(c1.... |
120 | 6GPT | - | A12 | C11 H17 N5 O9 P2 | c1nc(c2c(n.... |
121 | 5VYY | Kd = 0.62 uM | 9QY | C20 H19 Cl N2 O4 | COC(=O)c1c.... |
122 | 2WI2 | ic50 = 350 uM | ZZ3 | C5 H8 N4 S | Cc1nc(nc(n.... |
123 | 6GPF | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
124 | 2YE7 | - | 2GA | C8 H10 N4 S3 | Cc1c(c(n[n.... |
125 | 1UYF | ic50 = 30 uM | PU1 | C20 H21 Cl F N5 O3 | COc1cc(c(c.... |
126 | 3VHC | Kd = 1.3 nM | VHC | C22 H22 N4 O2 S | Cc1cc(c2cc.... |
127 | 2YK2 | - | YJX | C18 H14 N4 O | c1ccc2c(c1.... |
128 | 5J64 | Kd = 0.000000064 M | 6G7 | C14 H10 F N3 O3 | c1ccc(c(c1.... |
129 | 2XHR | Kd = 0.0048 uM | C0P | C16 H17 Cl3 N4 O2 | c1c(c(cc(c.... |
130 | 3R92 | ic50 = 0.883 uM | 06J | C26 H34 N4 O2 | Cc1c2n(c3c.... |
131 | 2CCT | ic50 = 6.3 uM | 2E1 | C16 H20 Cl N5 O3 | CCNC(=O)c1.... |
132 | 4XIR | Ki = 115 nM | 40X | C23 H27 Cl N2 O3 | CCC[C@H]1C.... |
133 | 4CWN | Ki = 2.6 uM | 6LV | C18 H17 N5 O2 | COc1cc(cc(.... |
134 | 1YET | - | GDM | C29 H40 N2 O9 | C[C@H]1C[C.... |
135 | 3QDD | Ki = 1.7 nM | 94M | C14 H15 Cl N6 O | Cc1cnc(c(c.... |
136 | 6GPO | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
137 | 2H55 | - | DZ8 | C19 H22 F I N6 O2 | CC(C)NCCCn.... |
138 | 1UYK | ic50 = 17.1 uM | PUX | C17 H18 F N5 O2 | CCCCn1c(nc.... |
139 | 2XDS | - | MT0 | C9 H7 Cl N2 | Cc1c2ccccc.... |
140 | 2WI1 | ic50 > 4000 uM | ZZ2 | C8 H13 N3 O2 | Cc1cc(nc(n.... |
141 | 4FCR | Kd = 0.4 nM | 0TM | C19 H18 Cl N5 O3 S | CN(C)C(=O).... |
142 | 5FNF | Kd = 700 uM | TQL | C12 H10 N2 O3 | c1cc(cnc1).... |
143 | 5J27 | Kd = 0.000000064 M | 6FF | C18 H19 F N4 O5 S | CCCN(C)S(=.... |
144 | 2YEC | - | XQ0 | C8 H8 N2 O | Cc1c2ccc(c.... |
145 | 4CWQ | Ki = 0.088 uM | W2D | C17 H14 N6 O4 S | c1cc2c(cc1.... |
146 | 2YE4 | - | 2FY | C9 H10 O3 | CCC(=O)c1c.... |
147 | 2BSM | ic50 = 1.5 uM | BSM | C19 H18 Cl N3 O4 | CCNC(=O)c1.... |
148 | 2YKI | Kd = 0.35 nM | YKI | C27 H18 N6 O | c1ccc2c(c1.... |
149 | 3RLQ | Ki = 0.04 uM | 3RQ | C15 H10 Cl2 N4 O | Cc1nc(c2c(.... |
150 | 3MNR | - | SD1 | C27 H31 N3 O5 | Cc1cc2c(n1.... |
151 | 3K99 | Ki = 60 nM | PFT | C15 H13 N O3 | c1ccc2c(c1.... |
152 | 5LNZ | - | 70Z | C25 H31 N5 O4 | CCCCN(C)C(.... |
153 | 5J20 | Kd = 0.000000064 M | 6FJ | C21 H17 F N4 O5 | CN(Cc1ccco.... |
154 | 6GQR | - | APC | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
155 | 6U9A | Ki = 164 nM | Q2A | C25 H24 F I N6 O4 S2 | c1cc(cc(c1.... |
156 | 2YEF | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
157 | 3B28 | Kd = 0.0034 uM | B2X | C16 H13 Cl N4 O S | CSc1nc(nc(.... |
158 | 3R4P | Ki = 0.011 uM | FU7 | C21 H21 Cl2 F2 N7 O2 | CC(CNC(=O).... |
159 | 4NH8 | Ki = 3 nM | 2LC | C22 H26 F N3 O3 | Cc1cn(c2c1.... |
160 | 6ELN | Kd = 0.000000064 M | P4A | C17 H16 N2 O3 | Cc1c(c(n[n.... |
161 | 2XDK | Kd = 250 uM | XDK | C9 H8 N4 | c1cc(cnc1).... |
162 | 2VCI | ic50 = 0.021 uM | 2GJ | C26 H31 N3 O5 | CCNC(=O)c1.... |
163 | 6CYH | Kd = 708 uM | N5A | C12 H17 N7 O4 | c1nc(c2c(n.... |
164 | 5M4E | - | 7F9 | C18 H20 N2 O5 | CCNC(=O)CN.... |
165 | 3QTF | ic50 = 0.11 uM | 05S | C24 H32 N4 O2 | Cc1c2n(c3c.... |
166 | 6EYB | Kd = 4.22 uM | C3Z | C23 H18 N4 O | c1ccc(cc1).... |
167 | 2WI5 | ic50 = 0.9 uM | ZZ5 | C17 H15 N5 O2 S | CCOc1ccc(c.... |
168 | 2XAB | Kd = 0.54 nM | VHD | C18 H19 N O3 | CC(C)c1cc(.... |
169 | 2UWD | Kd = 4.5 nM | 2GG | C19 H17 Cl N2 O5 | CCNC(=O)c1.... |
170 | 1UYH | ic50 = 14.3 uM | PU0 | C18 H22 F N5 O2 | CCCCn1c(nc.... |
171 | 6GP8 | - | APC | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
172 | 2XDL | Kd = 790 uM | 2DL | C12 H17 N O3 | CCN(CC)C(=.... |
173 | 5J82 | Kd = 0.000000064 M | 6GV | C18 H19 F N4 O5 S | CC(C)N(C)S.... |
174 | 4L91 | - | X29 | C12 H7 Br Cl N3 O2 | c1cc2nnc(n.... |
175 | 6GR1 | - | APC | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
176 | 6GQ6 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
177 | 3RKZ | ic50 = 0.083 uM | 06T | C28 H39 N5 O3 | Cc1c2n(c3c.... |
178 | 5LO0 | - | 70N | C28 H26 F2 N6 O3 S | CN1CCN(CC1.... |
179 | 4EEH | ic50 = 45 uM | HH6 | C13 H10 N2 O2 | c1cc(ccc1c.... |
180 | 2YE8 | - | 2D3 | C9 H9 N3 O3 | Cc1c(c(n[n.... |
181 | 2YI6 | - | 6QM | C18 H18 N2 O3 S | CCc1cc(c(c.... |
182 | 2YJX | - | YJX | C18 H14 N4 O | c1ccc2c(c1.... |
183 | 4CWP | Ki = 0.17 uM | TV2 | C17 H13 N5 O2 | c1ccc2c(c1.... |
184 | 4NH7 | Ki = 4 nM | E0G | C23 H27 F3 N4 O3 | CC1(Cc2c(c.... |
185 | 6EY9 | Kd = 1.24 uM | C4N | C24 H22 Cl N3 O2 | Cc1cccc(c1.... |
186 | 4EFU | ic50 = 0.25 uM | EFU | C24 H23 N3 O2 | Cc1cccc(c1.... |
187 | 5NYH | Kd = 18.7 nM | 9EK | C24 H27 N5 O4 | CN(c1ccc(c.... |
188 | 2YJW | - | YJW | C16 H13 N O3 | Cc1c(c(no1.... |
189 | 4O05 | Ki = 0.037 uM | 2Q9 | C26 H34 N4 O2 | CC(C)Nc1cc.... |
190 | 3B25 | Kd = 0.86 uM | B2K | C12 H13 N3 O2 S | Cc1ccc(cc1.... |
191 | 3OW6 | - | MEX | C13 H10 N2 O3 | c1ccc2c(c1.... |
192 | 3FT8 | ic50 = 0.03 uM | MOJ | C20 H18 F N5 O | Cc1c2c(nc(.... |
193 | 4EGH | ic50 = 550 uM | 0OY | C11 H13 N O3 | c1cc(ccc1C.... |
194 | 5ZR3 | ic50 = 98 nM | 9J0 | C24 H24 N8 O | Cc1cc(ccc1.... |
195 | 3INW | ic50 = 0.039 uM | JZB | C24 H29 Cl N2 O6 | c1c(c2c(c(.... |
196 | 3HHU | ic50 = 41 nM | 819 | C21 H24 N4 O4 S | CCOC(=O)NC.... |
197 | 6GPR | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
198 | 6N8X | Kd = 2 uM | KFY | C19 H23 N5 O3 | C/C=C/Cn1c.... |
199 | 4BQJ | - | XKL | C18 H15 N3 O7 | CCNC(=O)c1.... |
200 | 4O0B | Ki = 0.005 uM | 2QA | C25 H30 N2 O2 | Cc1cn(c2c1.... |
201 | 4JQL | ic50 = 1 uM | VJ6 | C28 H41 N3 O9 | C[C@H]1/C=.... |
202 | 1UYC | ic50 = 41 uM | PU7 | C18 H23 N5 O2 | CCCCn1c(nc.... |
203 | 2YE9 | - | 2D4 | C20 H15 N O4 S2 | c1ccc2c(c1.... |
204 | 2FWY | ic50 = 200 nM | H64 | C18 H21 Br N6 O2 S | CC(C)NCCCn.... |
205 | 3R4M | Ki = 1.2 uM | WOE | C11 H10 Cl N3 O | COc1ccccc1.... |
206 | 6ELP | Kd = 0.000000064 M | BA8 | C22 H18 Cl N3 O2 | c1ccc(c(c1.... |
207 | 5J86 | Kd = 0.000000064 M | 6GW | C22 H20 N4 O4 S | Cc1ccccc1N.... |
208 | 4EGK | Kd = 19 nM | RDC | C18 H17 Cl O6 | C[C@@H]1C[.... |
209 | 5FND | Kd = 320 uM | IQ5 | C10 H11 N3 O S | Cc1cc2c(cc.... |
210 | 3BM9 | ic50 = 0.19 uM | BXZ | C13 H8 Br N O4 | c1cc2c(cc1.... |
211 | 4FCQ | Kd = 0.156 uM | 2N6 | C16 H14 N4 S | Cc1ccc(c(c.... |
212 | 5GGZ | ic50 = 0.056 uM | 6TN | C19 H23 N3 O4 | CCOc1ncc2c.... |
213 | 2YI0 | Kd = 7.5 nM | YI0 | C15 H11 Cl N2 O3 S | COc1ccc(cc.... |
214 | 2QFO | Kd = 20 uM | A13 | C6 H6 F3 N3 | Cc1cc(nc(n.... |
215 | 2WI7 | ic50 = 0.058 uM | 2KL | C21 H23 Cl2 N5 O2 S | CCNC(=O)c1.... |
216 | 2YEI | - | XQK | C9 H9 N3 O3 | Cc1c(c([nH.... |
217 | 5J6L | Kd = 0.000000064 M | 6GC | C20 H21 F N4 O4 | CCCCN(C)C(.... |
218 | 5ODX | Kd = 195 nM | 9RZ | C26 H31 N5 O5 | CN(c1ccc(c.... |
219 | 3RLP | Kd = 0.084 uM | 3RP | C12 H11 Cl2 N3 O | Cc1cc(nc(n.... |
220 | 2IOR | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
221 | 4XDM | - | GDM | C29 H40 N2 O9 | C[C@H]1C[C.... |
222 | 4XC0 | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
223 | 4XCJ | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
224 | 4XCL | - | AGS | C10 H16 N5 O12 P3 S | c1nc(c2c(n.... |
225 | 4XD8 | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
226 | 6N8Y | Kd = 4.2 uM | KFY | C19 H23 N5 O3 | C/C=C/Cn1c.... |
227 | 3NMQ | - | 7PP | C21 H24 Cl N5 O2 | Cc1cnc(c(c.... |
228 | 5UCJ | Kd = 0.44 uM | KU3 | C19 H17 F N2 O3 | CC(C)c1cc(.... |
229 | 1UYM | - | PU3 | C19 H25 N5 O3 | CCCCn1c(nc.... |
230 | 5UC4 | Kd = 0.35 uM | 83S | C19 H19 N O3 | CC(C)c1cc(.... |
231 | 2BRC | ic50 = 7.1 uM | CT5 | C20 H20 N2 O4 | CCc1cc(c(c.... |
232 | 4CE3 | - | L4V | C18 H22 Cl N O4 | CN1CCC/C=C.... |
233 | 2VW5 | Kd = 3 nM | BC6 | C28 H42 N2 O6 | C[C@H]1CCC.... |
234 | 4ASA | - | 59C | C32 H45 N3 O8 | C[C@H]1C[C.... |
235 | 1BGQ | Kd = 2.7 nM | RDC | C18 H17 Cl O6 | C[C@@H]1C[.... |
236 | 2XX2 | - | 13C | C17 H20 Cl N O4 | c1c(c2c(c(.... |
237 | 2WEP | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
238 | 2WER | Kd = 90 nM | RDC | C18 H17 Cl O6 | C[C@@H]1C[.... |
239 | 2YGA | Kd = 24.5 uM | GDM | C29 H40 N2 O9 | C[C@H]1C[C.... |
240 | 2FXS | Kd = 0.87 uM | RDA | C18 H18 Cl N O8 | COc1cc(c(c.... |
241 | 2XX4 | - | 13I | C20 H26 Cl N O6 | CCO[C@H]([.... |
242 | 1AM1 | Kd = 132 mM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
243 | 2XD6 | ic50 = 0.65 uM | XD6 | C18 H19 Cl O6 | c1c(c2c(c(.... |
244 | 2CGF | Kd = 0.39 uM | P2N | C17 H19 Cl O5 | c1c(c2c(c(.... |
245 | 1AMW | Kd = 29 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
246 | 4ASG | - | 814 | C35 H44 N2 O9 | C[C@H]1C[C.... |
247 | 1A4H | - | GDM | C29 H40 N2 O9 | C[C@H]1C[C.... |
248 | 4CE2 | - | BO5 | C19 H24 Cl N O4 | CN1CC/C=C/.... |
249 | 2BRE | ic50 < 1 uM | KJ2 | C18 H18 Cl N3 O3 | c1cc(ccc1c.... |
250 | 2IWX | Kd = 0.21 uM | M1S | C18 H21 Cl O5 | c1c(c2c(c(.... |
251 | 2XX5 | - | 13N | C25 H27 Cl N2 O5 | c1ccc(cc1).... |
252 | 2YGF | Kd ~ 10 uM | GDM | C29 H40 N2 O9 | C[C@H]1C[C.... |
253 | 2VWC | Kd = 0.24 uM | BC2 | C30 H42 N2 O8 | C[C@H]1C[C.... |
254 | 4CE1 | - | 7FK | C20 H26 Cl N O4 | CN1CC/C=C/.... |
255 | 2WEQ | Kd = 1.27 uM | GDM | C29 H40 N2 O9 | C[C@H]1C[C.... |
256 | 2YGE | Kd = 8.62 uM | GDM | C29 H40 N2 O9 | C[C@H]1C[C.... |
257 | 6CJS | - | 2GJ | C26 H31 N3 O5 | CCNC(=O)c1.... |
258 | 6CJL | - | RDC | C18 H17 Cl O6 | C[C@@H]1C[.... |
259 | 6CJR | - | E0G | C23 H27 F3 N4 O3 | CC1(Cc2c(c.... |
260 | 6CJJ | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
261 | 3K60 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
262 | 1YC3 | Kd = 0.68 uM | 4BC | C19 H16 N2 O6 | CCc1cc(c(c.... |
263 | 1YC4 | Kd = 0.28 uM | 43P | C14 H14 N4 O2 | CCc1cc(c(c.... |
264 | 1YC1 | Kd = 0.68 uM | 4BC | C19 H16 N2 O6 | CCc1cc(c(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 6GQU | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
2 | 1UY7 | ic50 > 200 uM | PU4 | C17 H21 N5 O | CCCCn1c(nc.... |
3 | 3B24 | Kd = 0.042 mM | B2J | C6 H10 N4 S | CCSc1nc(nc.... |
4 | 3EKR | Ki = 0.03 uM | PY9 | C18 H19 N O3 | Cc1ccccc1[.... |
5 | 5J9X | Kd = 0.000000064 M | 6GC | C20 H21 F N4 O4 | CCCCN(C)C(.... |
6 | 3R4N | Ki = 0.13 uM | FU5 | C15 H15 Cl F3 N3 O | Cc1cc(nc(n.... |
7 | 2YEG | - | XQG | C6 H6 N4 S | CSc1c2c([n.... |
8 | 3OWD | - | MEY | C24 H18 Cl N3 O5 S | c1ccc2c(c1.... |
9 | 5LNY | Kd = 42 nM | 70K | C25 H29 N5 O4 | CN(c1ccc(c.... |
10 | 3BMY | ic50 = 0.03 uM | CXZ | C19 H20 Cl N3 O4 | c1cc2c(cc1.... |
11 | 3VHD | Kd = 0.52 nM | VHE | C19 H23 N5 O2 S | Cc1cc(c2cc.... |
12 | 2XJJ | Kd = 0.31 uM | L81 | C19 H20 N2 O2 | CC1(CNc2c1.... |
13 | 2YE3 | - | VXX | C9 H10 O4 | COc1cc(ccc.... |
14 | 6GPH | - | A12 | C11 H17 N5 O9 P2 | c1nc(c2c(n.... |
15 | 6EL5 | Kd = 0.000000064 M | PU1 | C20 H21 Cl F N5 O3 | COc1cc(c(c.... |
16 | 1UY8 | ic50 = 75 uM | PU5 | C17 H21 N5 O | CCCCn1c(nc.... |
17 | 3T10 | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
18 | 4CWR | Ki = 0.005 uM | HAJ | C17 H12 F N5 O2 | c1cc2c(c(c.... |
19 | 3EKO | Ki = 0.2 uM | PYU | C11 H9 N O4 | c1ccn(c1)C.... |
20 | 4XIP | Ki = 235 nM | 40W | C18 H20 N2 O2 | Cc1cn(c2c1.... |
21 | 1UYE | ic50 > 200 uM | PU9 | C20 H22 Cl N5 O3 | COc1cc(c(c.... |
22 | 4O07 | Ki = 0.042 uM | FGH | C27 H35 N3 O2 | CC(C)Cc1cc.... |
23 | 2JJC | - | LGA | C4 H5 N3 | c1cnc(nc1).... |
24 | 2YI5 | Kd = 39 nM | YI5 | C16 H13 Cl N2 O4 S | COc1ccc(cc.... |
25 | 1UY9 | ic50 = 15.3 uM | PU6 | C17 H19 N5 O2 | CCCCn1c(nc.... |
26 | 6EI5 | Kd = 3.83 nM | B5Q | C25 H23 N5 O | CNCc1ccccc.... |
27 | 3OWB | - | BSM | C19 H18 Cl N3 O4 | CCNC(=O)c1.... |
28 | 2YKB | - | YKB | C23 H19 N5 O2 | c1ccc2c(c1.... |
29 | 2QG2 | Ki = 4 uM | A91 | C17 H15 N5 O2 | Cc1cc(nc(n.... |
30 | 4B7P | Kd = 0.346 nM | 9UN | C22 H22 N4 O7 | CN1CCC(CC1.... |
31 | 4EFT | ic50 = 85 uM | EFT | C16 H19 N3 O | c1cc2c(cc1.... |
32 | 2WI6 | ic50 = 0.23 uM | ZZ6 | C15 H12 Cl2 N4 O S | CCNC(=O)c1.... |
33 | 2YEH | - | 2KU | C9 H13 N5 O | COCCCNc1c2.... |
34 | 6GR5 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
35 | 4L94 | - | S46 | C12 H16 N2 O2 | CN1CCN(CC1.... |
36 | 6GPP | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
37 | 2YKE | - | YKE | C29 H19 N5 O | c1cc(c2ccc.... |
38 | 4O04 | Ki = 0.69 uM | 2Q8 | C21 H25 N3 O2 | CC1(Cc2c(c.... |
39 | 2YE5 | - | 2A7 | C7 H8 O3 | COc1cc(cc(.... |
40 | 3FT5 | ic50 = 15 uM | MO8 | C8 H11 N3 S | Cc1c2c(nc(.... |
41 | 2XDU | - | LGA | C4 H5 N3 | c1cnc(nc1).... |
42 | 2YEB | - | 2K4 | C7 H6 N2 O | c1cc2cn[nH.... |
43 | 3B26 | Kd = 0.23 uM | B2L | C17 H15 N3 O | Cc1cc(nc(n.... |
44 | 4XIQ | Ki = 86 nM | 40Y | C20 H22 N2 O3 | Cc1c2n(c3c.... |
45 | 3T0Z | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
46 | 6GQS | - | A12 | C11 H17 N5 O9 P2 | c1nc(c2c(n.... |
47 | 4L8Z | ic50 = 18.7 uM | RL1 | C22 H17 Br N4 O3 | c1ccc2c(c1.... |
48 | 2YK9 | - | YK9 | C19 H11 N3 O | c1ccc2c(c1.... |
49 | 6EYA | Kd = 33 nM | C4K | C24 H21 N3 O4 | Cc1cccc(c1.... |
50 | 5M4H | - | 7FX | C14 H12 F3 N3 O3 | c1cc(c(cc1.... |
51 | 4AWQ | ic50 = 479 nM | 592 | C29 H32 N4 O3 | Cc1c(cccc1.... |
52 | 2VCJ | ic50 = 0.021 uM | 2EQ | C23 H24 Cl N3 O5 | CCNC(=O)c1.... |
53 | 3RLR | Ki = 0.03 uM | 3RR | C16 H12 Cl2 N4 O | Cc1c(c2c(n.... |
54 | 2XDX | Kd = 0.35 uM | WOE | C11 H10 Cl N3 O | COc1ccccc1.... |
55 | 6ELO | Kd = 0.000000064 M | BAW | C18 H17 F N2 O2 | CCc1cc(c(c.... |
56 | 3HEK | Ki = 5.4 nM | BD0 | C22 H24 Cl F2 N2 O3 | c1cc(ccc1C.... |
57 | 2XHT | Kd = 1.1 uM | C0Y | C15 H21 N O3 | CC(C)(C)c1.... |
58 | 2YEE | - | 2EC | C7 H9 N5 | CCn1cnc2c1.... |
59 | 3K98 | Ki < 1 nM | 1RC | C18 H17 Cl N2 O4 | CCNC(=O)[C.... |
60 | 3INX | ic50 = 0.022 uM | JZC | C24 H30 N2 O6 | c1c(cc(c2c.... |
61 | 2WI3 | ic50 = 350 uM | ZZ3 | C5 H8 N4 S | Cc1nc(nc(n.... |
62 | 3B27 | Kd = 6.9 uM | B2T | C10 H9 Cl N4 S | CSc1nc(nc(.... |
63 | 4BQG | - | 50Q | C12 H8 Cl2 O3 | c1cc(c(cc1.... |
64 | 1UYD | ic50 > 200 uM | PU8 | C19 H24 Cl N5 O3 | CCCCn1c(nc.... |
65 | 2FWZ | ic50 = 50 nM | H71 | C18 H21 I N6 O2 S | CC(C)NCCCn.... |
66 | 2BYI | ic50 = 0.461 uM | 2DD | C17 H15 Cl N4 O5 S | c1cc(ccc1C.... |
67 | 4XIT | Ki = 41 nM | 40Z | C25 H26 Cl N3 O3 | Cc1c2n(c3c.... |
68 | 3VHA | Kd = 40 nM | VHA | C21 H21 N3 O2 S | Cc1ccc2cc1.... |
69 | 6U98 | Ki = 378 nM | Q2D | C25 H24 F I N6 O4 S2 | c1cc(cc(c1.... |
70 | 5J8U | Kd = 0.000000064 M | 6DL | C14 H9 Br F N3 O3 | c1ccc(c(c1.... |
71 | 5J6N | - | 6FF | C18 H19 F N4 O5 S | CCCN(C)S(=.... |
72 | 5FNC | Kd = 77 uM | IEE | C12 H13 Cl N4 | Cc1ccc(cc1.... |
73 | 5J6M | Kd = 0.000000064 M | 6FJ | C21 H17 F N4 O5 | CN(Cc1ccco.... |
74 | 1UYG | ic50 = 53.5 uM | PU2 | C14 H14 F N5 O2 | COc1ccc(c(.... |
75 | 3D0B | Kd = 0.29 uM | SNX | C22 H23 N3 O3 | COCCNc1cc(.... |
76 | 2WI4 | ic50 = 1.56 uM | ZZ4 | C16 H11 Cl2 N5 | c1ccc(cc1).... |
77 | 2YEJ | - | XQK | C9 H9 N3 O3 | Cc1c(c([nH.... |
78 | 4AWO | ic50 = 24 nM | 99B | C29 H37 N5 O3 | CC[C@@H](C.... |
79 | 1UYI | ic50 = 4.1 uM | PUZ | C19 H20 F N5 O2 | COc1ccc(c(.... |
80 | 1BYQ | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
81 | 1UY6 | ic50 > 200 uM | PU3 | C19 H25 N5 O3 | CCCCn1c(nc.... |
82 | 4CWF | Ki = 32.4 uM | H05 | C12 H13 N5 | CCCc1nc2cc.... |
83 | 4W7T | ic50 = 0.9 uM | 3JC | C15 H15 N3 O | Cc1c2c(nc(.... |
84 | 2XJX | Kd = 0.71 nM | XJX | C24 H31 N3 O3 | CC(C)c1cc(.... |
85 | 4AWP | ic50 = 81 nM | 99A | C30 H33 N5 O3 | Cc1cc(c(cc.... |
86 | 2XJG | Kd = 0.015 uM | XJG | C19 H21 N O3 | CC(C)c1cc(.... |
87 | 4CWT | Ki = 0.179 uM | IK9 | C19 H17 F N6 O3 | c1cc2c(cc1.... |
88 | 6CYG | Kd = 68 uM | N5O | C12 H16 N6 O5 | c1nc(c2c(n.... |
89 | 4O09 | Ki = 0.02 uM | 2R6 | C24 H30 N2 O2 | Cc1cn(c2c1.... |
90 | 2BT0 | ic50 = 5.7 uM | CT5 | C20 H20 N2 O4 | CCc1cc(c(c.... |
91 | 2QG0 | Ki = 1.9 uM | A94 | C17 H19 N5 O4 S | Cc1cc(nc(n.... |
92 | 2XK2 | Kd = 10 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
93 | 6HHR | - | G5E | C14 H10 F N3 O2 S | c1ccc(c(c1.... |
94 | 3R91 | ic50 = 0.092 uM | 06H | C25 H32 N4 O3 | Cc1c2n(c3c.... |
95 | 2CCS | ic50 = 2 uM | 4BH | C13 H15 Cl N4 O2 | c1c(c(cc(c.... |
96 | 2YKJ | - | YKJ | C25 H18 N6 O | c1ccc2c(c1.... |
97 | 6OLX | Kd = 4.15 uM | KFY | C19 H23 N5 O3 | C/C=C/Cn1c.... |
98 | 6GPY | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
99 | 5OCI | Kd = 9 nM | 9R8 | C27 H28 N4 O3 | Cc1cccc(c1.... |
100 | 4FCP | - | 42C | C7 H9 N5 | CN(C)c1c2c.... |
101 | 5J2X | Kd = 0.000000064 M | 6DL | C14 H9 Br F N3 O3 | c1ccc(c(c1.... |
102 | 3WHA | Kd = 0.48 nM | WHA | C19 H18 Cl N5 O2 S | c1cc2c3c(c.... |
103 | 6GR3 | - | AN2 | C10 H16 N6 O9 P2 | c1nc(c2c(n.... |
104 | 6EY8 | Kd = 1.55 uM | C4T | C23 H20 Cl N3 O2 | CN(Cc1ccc(.... |
105 | 2YEA | - | 2A9 | C8 H10 O3 | COc1ccc(cc.... |
106 | 2YI7 | Kd = 4.8 nM | BZ8 | C16 H13 Cl N2 O3 S | CCOc1ccc(c.... |
107 | 2YE2 | - | XQI | C9 H10 O4 | COC(=O)Cc1.... |
108 | 6F1N | Kd = 0.000000064 M | C8W | C20 H19 N5 O5 S | COc1ccc(cc.... |
109 | 4CWO | Ki = 6.1 uM | T62 | C16 H13 N5 O2 | c1ccc2c(c1.... |
110 | 5J8M | Kd = 0.000000064 M | 6DL | C14 H9 Br F N3 O3 | c1ccc(c(c1.... |
111 | 4U93 | ic50 = 0.013 uM | 990 | C20 H18 F N5 O2 | Cc1c2c(nc(.... |
112 | 4CWS | Ki = 0.012 uM | G3R | C19 H18 N6 O3 | c1cc2c(cc1.... |
113 | 2BYH | ic50 = 0.258 uM | 2D7 | C18 H14 Cl N3 O4 | CC(=O)c1cc.... |
114 | 4EGI | ic50 = 150 uM | B2J | C6 H10 N4 S | CCSc1nc(nc.... |
115 | 1OSF | - | KOS | C32 H48 N4 O8 | C[C@H]1C[C.... |
116 | 3K97 | Ki = 10 nM | 4CD | C18 H18 Cl N O3 | Cc1ccccc1[.... |
117 | 2YED | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
118 | 6CEO | - | D57 | C22 H22 N2 O6 | COC(=O)c1c.... |
119 | 2YKC | - | YKC | C25 H17 N5 O | c1ccc2c(c1.... |
120 | 6GPT | - | A12 | C11 H17 N5 O9 P2 | c1nc(c2c(n.... |
121 | 5VYY | Kd = 0.62 uM | 9QY | C20 H19 Cl N2 O4 | COC(=O)c1c.... |
122 | 2WI2 | ic50 = 350 uM | ZZ3 | C5 H8 N4 S | Cc1nc(nc(n.... |
123 | 6GPF | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
124 | 2YE7 | - | 2GA | C8 H10 N4 S3 | Cc1c(c(n[n.... |
125 | 1UYF | ic50 = 30 uM | PU1 | C20 H21 Cl F N5 O3 | COc1cc(c(c.... |
126 | 3VHC | Kd = 1.3 nM | VHC | C22 H22 N4 O2 S | Cc1cc(c2cc.... |
127 | 2YK2 | - | YJX | C18 H14 N4 O | c1ccc2c(c1.... |
128 | 5J64 | Kd = 0.000000064 M | 6G7 | C14 H10 F N3 O3 | c1ccc(c(c1.... |
129 | 2XHR | Kd = 0.0048 uM | C0P | C16 H17 Cl3 N4 O2 | c1c(c(cc(c.... |
130 | 3R92 | ic50 = 0.883 uM | 06J | C26 H34 N4 O2 | Cc1c2n(c3c.... |
131 | 2CCT | ic50 = 6.3 uM | 2E1 | C16 H20 Cl N5 O3 | CCNC(=O)c1.... |
132 | 4XIR | Ki = 115 nM | 40X | C23 H27 Cl N2 O3 | CCC[C@H]1C.... |
133 | 4CWN | Ki = 2.6 uM | 6LV | C18 H17 N5 O2 | COc1cc(cc(.... |
134 | 1YET | - | GDM | C29 H40 N2 O9 | C[C@H]1C[C.... |
135 | 3QDD | Ki = 1.7 nM | 94M | C14 H15 Cl N6 O | Cc1cnc(c(c.... |
136 | 6GPO | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
137 | 2H55 | - | DZ8 | C19 H22 F I N6 O2 | CC(C)NCCCn.... |
138 | 1UYK | ic50 = 17.1 uM | PUX | C17 H18 F N5 O2 | CCCCn1c(nc.... |
139 | 2XDS | - | MT0 | C9 H7 Cl N2 | Cc1c2ccccc.... |
140 | 2WI1 | ic50 > 4000 uM | ZZ2 | C8 H13 N3 O2 | Cc1cc(nc(n.... |
141 | 4FCR | Kd = 0.4 nM | 0TM | C19 H18 Cl N5 O3 S | CN(C)C(=O).... |
142 | 5FNF | Kd = 700 uM | TQL | C12 H10 N2 O3 | c1cc(cnc1).... |
143 | 5J27 | Kd = 0.000000064 M | 6FF | C18 H19 F N4 O5 S | CCCN(C)S(=.... |
144 | 2YEC | - | XQ0 | C8 H8 N2 O | Cc1c2ccc(c.... |
145 | 4CWQ | Ki = 0.088 uM | W2D | C17 H14 N6 O4 S | c1cc2c(cc1.... |
146 | 2YE4 | - | 2FY | C9 H10 O3 | CCC(=O)c1c.... |
147 | 2BSM | ic50 = 1.5 uM | BSM | C19 H18 Cl N3 O4 | CCNC(=O)c1.... |
148 | 2YKI | Kd = 0.35 nM | YKI | C27 H18 N6 O | c1ccc2c(c1.... |
149 | 3RLQ | Ki = 0.04 uM | 3RQ | C15 H10 Cl2 N4 O | Cc1nc(c2c(.... |
150 | 3MNR | - | SD1 | C27 H31 N3 O5 | Cc1cc2c(n1.... |
151 | 3K99 | Ki = 60 nM | PFT | C15 H13 N O3 | c1ccc2c(c1.... |
152 | 5LNZ | - | 70Z | C25 H31 N5 O4 | CCCCN(C)C(.... |
153 | 5J20 | Kd = 0.000000064 M | 6FJ | C21 H17 F N4 O5 | CN(Cc1ccco.... |
154 | 6GQR | - | APC | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
155 | 6U9A | Ki = 164 nM | Q2A | C25 H24 F I N6 O4 S2 | c1cc(cc(c1.... |
156 | 2YEF | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
157 | 3B28 | Kd = 0.0034 uM | B2X | C16 H13 Cl N4 O S | CSc1nc(nc(.... |
158 | 3R4P | Ki = 0.011 uM | FU7 | C21 H21 Cl2 F2 N7 O2 | CC(CNC(=O).... |
159 | 4NH8 | Ki = 3 nM | 2LC | C22 H26 F N3 O3 | Cc1cn(c2c1.... |
160 | 6ELN | Kd = 0.000000064 M | P4A | C17 H16 N2 O3 | Cc1c(c(n[n.... |
161 | 2XDK | Kd = 250 uM | XDK | C9 H8 N4 | c1cc(cnc1).... |
162 | 2VCI | ic50 = 0.021 uM | 2GJ | C26 H31 N3 O5 | CCNC(=O)c1.... |
163 | 6CYH | Kd = 708 uM | N5A | C12 H17 N7 O4 | c1nc(c2c(n.... |
164 | 5M4E | - | 7F9 | C18 H20 N2 O5 | CCNC(=O)CN.... |
165 | 3QTF | ic50 = 0.11 uM | 05S | C24 H32 N4 O2 | Cc1c2n(c3c.... |
166 | 6EYB | Kd = 4.22 uM | C3Z | C23 H18 N4 O | c1ccc(cc1).... |
167 | 2WI5 | ic50 = 0.9 uM | ZZ5 | C17 H15 N5 O2 S | CCOc1ccc(c.... |
168 | 2XAB | Kd = 0.54 nM | VHD | C18 H19 N O3 | CC(C)c1cc(.... |
169 | 2UWD | Kd = 4.5 nM | 2GG | C19 H17 Cl N2 O5 | CCNC(=O)c1.... |
170 | 1UYH | ic50 = 14.3 uM | PU0 | C18 H22 F N5 O2 | CCCCn1c(nc.... |
171 | 6GP8 | - | APC | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
172 | 2XDL | Kd = 790 uM | 2DL | C12 H17 N O3 | CCN(CC)C(=.... |
173 | 5J82 | Kd = 0.000000064 M | 6GV | C18 H19 F N4 O5 S | CC(C)N(C)S.... |
174 | 4L91 | - | X29 | C12 H7 Br Cl N3 O2 | c1cc2nnc(n.... |
175 | 6GR1 | - | APC | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
176 | 6GQ6 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
177 | 3RKZ | ic50 = 0.083 uM | 06T | C28 H39 N5 O3 | Cc1c2n(c3c.... |
178 | 5LO0 | - | 70N | C28 H26 F2 N6 O3 S | CN1CCN(CC1.... |
179 | 4EEH | ic50 = 45 uM | HH6 | C13 H10 N2 O2 | c1cc(ccc1c.... |
180 | 2YE8 | - | 2D3 | C9 H9 N3 O3 | Cc1c(c(n[n.... |
181 | 2YI6 | - | 6QM | C18 H18 N2 O3 S | CCc1cc(c(c.... |
182 | 2YJX | - | YJX | C18 H14 N4 O | c1ccc2c(c1.... |
183 | 4CWP | Ki = 0.17 uM | TV2 | C17 H13 N5 O2 | c1ccc2c(c1.... |
184 | 4NH7 | Ki = 4 nM | E0G | C23 H27 F3 N4 O3 | CC1(Cc2c(c.... |
185 | 6EY9 | Kd = 1.24 uM | C4N | C24 H22 Cl N3 O2 | Cc1cccc(c1.... |
186 | 4EFU | ic50 = 0.25 uM | EFU | C24 H23 N3 O2 | Cc1cccc(c1.... |
187 | 5NYH | Kd = 18.7 nM | 9EK | C24 H27 N5 O4 | CN(c1ccc(c.... |
188 | 2YJW | - | YJW | C16 H13 N O3 | Cc1c(c(no1.... |
189 | 4O05 | Ki = 0.037 uM | 2Q9 | C26 H34 N4 O2 | CC(C)Nc1cc.... |
190 | 3B25 | Kd = 0.86 uM | B2K | C12 H13 N3 O2 S | Cc1ccc(cc1.... |
191 | 3OW6 | - | MEX | C13 H10 N2 O3 | c1ccc2c(c1.... |
192 | 3FT8 | ic50 = 0.03 uM | MOJ | C20 H18 F N5 O | Cc1c2c(nc(.... |
193 | 4EGH | ic50 = 550 uM | 0OY | C11 H13 N O3 | c1cc(ccc1C.... |
194 | 5ZR3 | ic50 = 98 nM | 9J0 | C24 H24 N8 O | Cc1cc(ccc1.... |
195 | 3INW | ic50 = 0.039 uM | JZB | C24 H29 Cl N2 O6 | c1c(c2c(c(.... |
196 | 3HHU | ic50 = 41 nM | 819 | C21 H24 N4 O4 S | CCOC(=O)NC.... |
197 | 6GPR | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
198 | 6N8X | Kd = 2 uM | KFY | C19 H23 N5 O3 | C/C=C/Cn1c.... |
199 | 4BQJ | - | XKL | C18 H15 N3 O7 | CCNC(=O)c1.... |
200 | 4O0B | Ki = 0.005 uM | 2QA | C25 H30 N2 O2 | Cc1cn(c2c1.... |
201 | 4JQL | ic50 = 1 uM | VJ6 | C28 H41 N3 O9 | C[C@H]1/C=.... |
202 | 1UYC | ic50 = 41 uM | PU7 | C18 H23 N5 O2 | CCCCn1c(nc.... |
203 | 2YE9 | - | 2D4 | C20 H15 N O4 S2 | c1ccc2c(c1.... |
204 | 2FWY | ic50 = 200 nM | H64 | C18 H21 Br N6 O2 S | CC(C)NCCCn.... |
205 | 3R4M | Ki = 1.2 uM | WOE | C11 H10 Cl N3 O | COc1ccccc1.... |
206 | 6ELP | Kd = 0.000000064 M | BA8 | C22 H18 Cl N3 O2 | c1ccc(c(c1.... |
207 | 5J86 | Kd = 0.000000064 M | 6GW | C22 H20 N4 O4 S | Cc1ccccc1N.... |
208 | 4EGK | Kd = 19 nM | RDC | C18 H17 Cl O6 | C[C@@H]1C[.... |
209 | 5FND | Kd = 320 uM | IQ5 | C10 H11 N3 O S | Cc1cc2c(cc.... |
210 | 3BM9 | ic50 = 0.19 uM | BXZ | C13 H8 Br N O4 | c1cc2c(cc1.... |
211 | 4FCQ | Kd = 0.156 uM | 2N6 | C16 H14 N4 S | Cc1ccc(c(c.... |
212 | 5GGZ | ic50 = 0.056 uM | 6TN | C19 H23 N3 O4 | CCOc1ncc2c.... |
213 | 1TC0 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
214 | 1U2O | - | NEC | C12 H16 N6 O4 | CCNC(=O)[C.... |
215 | 1TC6 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
216 | 1U0Z | - | RDC | C18 H17 Cl O6 | C[C@@H]1C[.... |
217 | 1TBW | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
218 | 6ASQ | - | VC4 | C22 H20 Cl N O4 | COC(=O)c1c.... |
219 | 1YT0 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
220 | 2EXL | - | GDM | C29 H40 N2 O9 | C[C@H]1C[C.... |
221 | 2GFD | Kd = 0.52 uM | RDA | C18 H18 Cl N O8 | COc1cc(c(c.... |
222 | 2YI0 | Kd = 7.5 nM | YI0 | C15 H11 Cl N2 O3 S | COc1ccc(cc.... |
223 | 2QFO | Kd = 20 uM | A13 | C6 H6 F3 N3 | Cc1cc(nc(n.... |
224 | 2WI7 | ic50 = 0.058 uM | 2KL | C21 H23 Cl2 N5 O2 S | CCNC(=O)c1.... |
225 | 2YEI | - | XQK | C9 H9 N3 O3 | Cc1c(c([nH.... |
226 | 5J6L | Kd = 0.000000064 M | 6GC | C20 H21 F N4 O4 | CCCCN(C)C(.... |
227 | 5ODX | Kd = 195 nM | 9RZ | C26 H31 N5 O5 | CN(c1ccc(c.... |
228 | 3RLP | Kd = 0.084 uM | 3RP | C12 H11 Cl2 N3 O | Cc1cc(nc(n.... |
229 | 2IOR | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
230 | 4XDM | - | GDM | C29 H40 N2 O9 | C[C@H]1C[C.... |
231 | 4XC0 | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
232 | 4XCJ | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
233 | 4XCL | - | AGS | C10 H16 N5 O12 P3 S | c1nc(c2c(n.... |
234 | 4XD8 | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
235 | 1QYE | - | CDY | C10 H12 Cl N5 O2 | c1nc2c(nc(.... |
236 | 6CYI | Kd = 9.1 uM | N5O | C12 H16 N6 O5 | c1nc(c2c(n.... |
237 | 1QY8 | - | RDI | C18 H23 Cl O6 | C[C@@H]1C[.... |
238 | 6D28 | Kd = 200 nM | NEC | C12 H16 N6 O4 | CCNC(=O)[C.... |
239 | 6N8Y | Kd = 4.2 uM | KFY | C19 H23 N5 O3 | C/C=C/Cn1c.... |
240 | 3NMQ | - | 7PP | C21 H24 Cl N5 O2 | Cc1cnc(c(c.... |
241 | 5UCJ | Kd = 0.44 uM | KU3 | C19 H17 F N2 O3 | CC(C)c1cc(.... |
242 | 1UYM | - | PU3 | C19 H25 N5 O3 | CCCCn1c(nc.... |
243 | 5UC4 | Kd = 0.35 uM | 83S | C19 H19 N O3 | CC(C)c1cc(.... |
244 | 2BRC | ic50 = 7.1 uM | CT5 | C20 H20 N2 O4 | CCc1cc(c(c.... |
245 | 4CE3 | - | L4V | C18 H22 Cl N O4 | CN1CCC/C=C.... |
246 | 2VW5 | Kd = 3 nM | BC6 | C28 H42 N2 O6 | C[C@H]1CCC.... |
247 | 4ASA | - | 59C | C32 H45 N3 O8 | C[C@H]1C[C.... |
248 | 1BGQ | Kd = 2.7 nM | RDC | C18 H17 Cl O6 | C[C@@H]1C[.... |
249 | 2XX2 | - | 13C | C17 H20 Cl N O4 | c1c(c2c(c(.... |
250 | 2WEP | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
251 | 2WER | Kd = 90 nM | RDC | C18 H17 Cl O6 | C[C@@H]1C[.... |
252 | 2YGA | Kd = 24.5 uM | GDM | C29 H40 N2 O9 | C[C@H]1C[C.... |
253 | 2FXS | Kd = 0.87 uM | RDA | C18 H18 Cl N O8 | COc1cc(c(c.... |
254 | 2XX4 | - | 13I | C20 H26 Cl N O6 | CCO[C@H]([.... |
255 | 1AM1 | Kd = 132 mM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
256 | 2XD6 | ic50 = 0.65 uM | XD6 | C18 H19 Cl O6 | c1c(c2c(c(.... |
257 | 2CGF | Kd = 0.39 uM | P2N | C17 H19 Cl O5 | c1c(c2c(c(.... |
258 | 1AMW | Kd = 29 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
259 | 4ASG | - | 814 | C35 H44 N2 O9 | C[C@H]1C[C.... |
260 | 1A4H | - | GDM | C29 H40 N2 O9 | C[C@H]1C[C.... |
261 | 4CE2 | - | BO5 | C19 H24 Cl N O4 | CN1CC/C=C/.... |
262 | 2BRE | ic50 < 1 uM | KJ2 | C18 H18 Cl N3 O3 | c1cc(ccc1c.... |
263 | 2IWX | Kd = 0.21 uM | M1S | C18 H21 Cl O5 | c1c(c2c(c(.... |
264 | 2XX5 | - | 13N | C25 H27 Cl N2 O5 | c1ccc(cc1).... |
265 | 2YGF | Kd ~ 10 uM | GDM | C29 H40 N2 O9 | C[C@H]1C[C.... |
266 | 2VWC | Kd = 0.24 uM | BC2 | C30 H42 N2 O8 | C[C@H]1C[C.... |
267 | 4CE1 | - | 7FK | C20 H26 Cl N O4 | CN1CC/C=C/.... |
268 | 2WEQ | Kd = 1.27 uM | GDM | C29 H40 N2 O9 | C[C@H]1C[C.... |
269 | 2YGE | Kd = 8.62 uM | GDM | C29 H40 N2 O9 | C[C@H]1C[C.... |
270 | 6CJS | - | 2GJ | C26 H31 N3 O5 | CCNC(=O)c1.... |
271 | 6CJL | - | RDC | C18 H17 Cl O6 | C[C@@H]1C[.... |
272 | 6CJR | - | E0G | C23 H27 F3 N4 O3 | CC1(Cc2c(c.... |
273 | 6CJJ | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
274 | 3K60 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
275 | 7C04 | ic50 = 1.983 uM | FEU | C14 H11 Cl F3 N5 O | COc1cc(ccc.... |
276 | 5F5R | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
277 | 1YC3 | Kd = 0.68 uM | 4BC | C19 H16 N2 O6 | CCc1cc(c(c.... |
278 | 1YC4 | Kd = 0.28 uM | 43P | C14 H14 N4 O2 | CCc1cc(c(c.... |
279 | 1YC1 | Kd = 0.68 uM | 4BC | C19 H16 N2 O6 | CCc1cc(c(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | AGS | 1 | 1 |
2 | BA3 | 0.887324 | 0.92 |
3 | B4P | 0.875 | 0.92 |
4 | AP5 | 0.875 | 0.92 |
5 | A2D | 0.859155 | 0.92 |
6 | ATP | 0.84 | 0.945946 |
7 | HEJ | 0.84 | 0.945946 |
8 | 5FA | 0.828947 | 0.945946 |
9 | AQP | 0.828947 | 0.945946 |
10 | AN2 | 0.813333 | 0.933333 |
11 | ADP | 0.8 | 0.945946 |
12 | AT4 | 0.789474 | 0.986486 |
13 | APR | 0.782051 | 0.92 |
14 | AR6 | 0.782051 | 0.92 |
15 | M33 | 0.779221 | 0.907895 |
16 | AD9 | 0.772152 | 0.921053 |
17 | ACP | 0.769231 | 0.921053 |
18 | HQG | 0.759036 | 0.933333 |
19 | SRA | 0.756757 | 0.972973 |
20 | A22 | 0.75 | 0.933333 |
21 | 50T | 0.746835 | 0.907895 |
22 | AMP | 0.743243 | 0.918919 |
23 | A | 0.743243 | 0.918919 |
24 | ADX | 0.734177 | 0.9 |
25 | CA0 | 0.734177 | 0.896104 |
26 | ADQ | 0.732558 | 0.896104 |
27 | ANP | 0.731707 | 0.921053 |
28 | ACQ | 0.731707 | 0.921053 |
29 | 25L | 0.730337 | 0.933333 |
30 | 6YZ | 0.72619 | 0.921053 |
31 | KG4 | 0.725 | 0.896104 |
32 | PRX | 0.716049 | 0.848101 |
33 | 9X8 | 0.715909 | 0.947368 |
34 | OAD | 0.715909 | 0.896104 |
35 | ATF | 0.714286 | 0.909091 |
36 | 45A | 0.714286 | 0.87013 |
37 | ABM | 0.714286 | 0.87013 |
38 | AMP MG | 0.710526 | 0.88 |
39 | JNT | 0.704545 | 0.896104 |
40 | A12 | 0.696203 | 0.909091 |
41 | AP2 | 0.696203 | 0.909091 |
42 | A1R | 0.693182 | 0.8625 |
43 | A3R | 0.693182 | 0.8625 |
44 | T99 | 0.690476 | 0.986486 |
45 | TAT | 0.690476 | 0.986486 |
46 | 5AL | 0.682353 | 0.883117 |
47 | 8LE | 0.682353 | 0.85 |
48 | 25A | 0.681818 | 0.92 |
49 | 3OD | 0.681319 | 0.896104 |
50 | ADP MG | 0.679012 | 0.893333 |
51 | ADP BEF | 0.679012 | 0.893333 |
52 | APC | 0.674699 | 0.909091 |
53 | AU1 | 0.670732 | 0.921053 |
54 | SRP | 0.666667 | 0.860759 |
55 | APC MG | 0.666667 | 0.87013 |
56 | 8LH | 0.666667 | 0.860759 |
57 | KMQ | 0.659574 | 0.884615 |
58 | G3A | 0.65625 | 0.875 |
59 | 4AD | 0.655556 | 0.873418 |
60 | QA7 | 0.651685 | 0.85 |
61 | 8LQ | 0.651685 | 0.860759 |
62 | G5P | 0.649485 | 0.875 |
63 | AFH | 0.649485 | 0.841463 |
64 | 00A | 0.648352 | 0.839506 |
65 | ADP PO3 | 0.647059 | 0.893333 |
66 | ATP MG | 0.647059 | 0.893333 |
67 | RBY | 0.647059 | 0.884615 |
68 | ADV | 0.647059 | 0.884615 |
69 | BIS | 0.645161 | 0.886076 |
70 | OZV | 0.644444 | 0.92 |
71 | 5SV | 0.644444 | 0.807229 |
72 | 8QN | 0.644444 | 0.883117 |
73 | OOB | 0.644444 | 0.883117 |
74 | GTA | 0.642857 | 0.843373 |
75 | BEF ADP | 0.639535 | 0.87013 |
76 | PAJ | 0.637363 | 0.841463 |
77 | AMO | 0.637363 | 0.884615 |
78 | VO4 ADP | 0.636364 | 0.896104 |
79 | ITT | 0.630952 | 0.893333 |
80 | DLL | 0.630435 | 0.883117 |
81 | AHX | 0.630435 | 0.851852 |
82 | NB8 | 0.62766 | 0.851852 |
83 | V2G | 0.625 | 0.851852 |
84 | UP5 | 0.623762 | 0.873418 |
85 | 3UK | 0.623656 | 0.871795 |
86 | SON | 0.619048 | 0.884615 |
87 | ANP MG | 0.617977 | 0.883117 |
88 | ALF ADP | 0.617977 | 0.82716 |
89 | OMR | 0.617647 | 0.811765 |
90 | WAQ | 0.617021 | 0.839506 |
91 | LAD | 0.617021 | 0.819277 |
92 | B5V | 0.617021 | 0.860759 |
93 | PR8 | 0.617021 | 0.809524 |
94 | DAL AMP | 0.615385 | 0.858974 |
95 | MAP | 0.615385 | 0.897436 |
96 | GAP | 0.613636 | 0.848101 |
97 | LMS | 0.6125 | 0.853659 |
98 | 7D4 | 0.611765 | 0.858974 |
99 | 1ZZ | 0.610526 | 0.8 |
100 | ME8 | 0.610526 | 0.821429 |
101 | PTJ | 0.610526 | 0.851852 |
102 | FYA | 0.610526 | 0.858974 |
103 | TXA | 0.610526 | 0.884615 |
104 | DQV | 0.61 | 0.907895 |
105 | PAP | 0.609195 | 0.932432 |
106 | ATR | 0.609195 | 0.918919 |
107 | 6V0 | 0.607843 | 0.851852 |
108 | NAX | 0.607843 | 0.831325 |
109 | NAI | 0.607843 | 0.8625 |
110 | ADP BMA | 0.606383 | 0.871795 |
111 | A4P | 0.605769 | 0.804598 |
112 | A2R | 0.604396 | 0.933333 |
113 | RAB | 0.60274 | 0.8 |
114 | ADN | 0.60274 | 0.8 |
115 | XYA | 0.60274 | 0.8 |
116 | 48N | 0.598039 | 0.851852 |
117 | 9SN | 0.597938 | 0.829268 |
118 | 139 | 0.59434 | 0.831325 |
119 | T5A | 0.59434 | 0.802326 |
120 | TXD | 0.592233 | 0.8625 |
121 | DND | 0.592233 | 0.884615 |
122 | B5Y | 0.591837 | 0.85 |
123 | B5M | 0.591837 | 0.85 |
124 | FA5 | 0.591837 | 0.860759 |
125 | 9ZD | 0.591398 | 0.8625 |
126 | 9ZA | 0.591398 | 0.8625 |
127 | TXE | 0.586538 | 0.8625 |
128 | XAH | 0.585859 | 0.8 |
129 | HFD | 0.58427 | 0.897436 |
130 | JSQ | 0.58427 | 0.897436 |
131 | GA7 | 0.584158 | 0.860759 |
132 | AP0 | 0.580952 | 0.851852 |
133 | L3W | 0.580952 | 0.884615 |
134 | 4UV | 0.58 | 0.85 |
135 | 2A5 | 0.579545 | 0.871795 |
136 | AOC | 0.578313 | 0.779221 |
137 | COD | 0.577982 | 0.795455 |
138 | A3P | 0.576471 | 0.918919 |
139 | ATP A A A | 0.575758 | 0.881579 |
140 | ATP A | 0.575758 | 0.881579 |
141 | CNA | 0.574074 | 0.884615 |
142 | LAQ | 0.572816 | 0.865854 |
143 | 5AS | 0.569767 | 0.804598 |
144 | 4UU | 0.568627 | 0.85 |
145 | YLP | 0.567308 | 0.781609 |
146 | 4TC | 0.566038 | 0.851852 |
147 | YLB | 0.566038 | 0.781609 |
148 | UPA | 0.566038 | 0.8625 |
149 | 5N5 | 0.565789 | 0.776316 |
150 | ADJ | 0.564815 | 0.811765 |
151 | 7D3 | 0.564706 | 0.858974 |
152 | 3AM | 0.560976 | 0.88 |
153 | A4D | 0.558442 | 0.8 |
154 | 5CD | 0.558442 | 0.763158 |
155 | A2P | 0.55814 | 0.905405 |
156 | NA7 | 0.556701 | 0.909091 |
157 | F2R | 0.554545 | 0.823529 |
158 | PPS | 0.554348 | 0.9 |
159 | H1Q | 0.550562 | 0.857143 |
160 | G5A | 0.549451 | 0.804598 |
161 | GSP | 0.547368 | 0.924051 |
162 | 4UW | 0.54717 | 0.819277 |
163 | JB6 | 0.545455 | 0.910256 |
164 | 3AT | 0.543478 | 0.92 |
165 | TYM | 0.542056 | 0.860759 |
166 | MYR AMP | 0.54 | 0.77907 |
167 | 80F | 0.539823 | 0.845238 |
168 | AR6 AR6 | 0.538462 | 0.87013 |
169 | EP4 | 0.5375 | 0.716049 |
170 | YLC | 0.537037 | 0.8 |
171 | 7D5 | 0.536585 | 0.833333 |
172 | NAD | 0.535714 | 0.883117 |
173 | DTA | 0.530864 | 0.792208 |
174 | M2T | 0.530864 | 0.719512 |
175 | 2AM | 0.53012 | 0.893333 |
176 | 3DH | 0.53012 | 0.75641 |
177 | AHZ | 0.528302 | 0.821429 |
178 | IOT | 0.527273 | 0.793103 |
179 | DTP | 0.526882 | 0.858974 |
180 | A3D | 0.526316 | 0.871795 |
181 | SSA | 0.526316 | 0.825581 |
182 | MTA | 0.52439 | 0.75641 |
183 | ARG AMP | 0.52381 | 0.790698 |
184 | YLA | 0.522523 | 0.781609 |
185 | BTX | 0.522124 | 0.845238 |
186 | 6AD | 0.521277 | 0.911392 |
187 | AMP DBH | 0.519231 | 0.848101 |
188 | TAD | 0.518868 | 0.8875 |
189 | AYB | 0.517857 | 0.772727 |
190 | BT5 | 0.517544 | 0.835294 |
191 | A5A | 0.515789 | 0.833333 |
192 | TSB | 0.515464 | 0.845238 |
193 | OVE | 0.511628 | 0.933333 |
194 | 6RE | 0.511628 | 0.722892 |
195 | 7DT | 0.51087 | 0.932432 |
196 | V3L | 0.510638 | 0.92 |
197 | AVV | 0.510204 | 0.851852 |
198 | 7MD | 0.509434 | 0.821429 |
199 | LPA AMP | 0.509259 | 0.843373 |
200 | 0WD | 0.508772 | 0.875 |
201 | NAE | 0.508475 | 0.85 |
202 | VMS | 0.505155 | 0.813953 |
203 | 54H | 0.505155 | 0.813953 |
204 | NO7 | 0.505155 | 0.884615 |
205 | 52H | 0.505155 | 0.804598 |
206 | NSS | 0.50505 | 0.825581 |
207 | NAQ | 0.504202 | 0.829268 |
208 | EAD | 0.504132 | 0.831325 |
209 | FB0 | 0.504 | 0.769231 |
210 | 53H | 0.5 | 0.804598 |
211 | ALF ADP 3PG | 0.5 | 0.797619 |
212 | ZID | 0.5 | 0.871795 |
213 | CUU | 0.5 | 0.92 |
214 | IMO | 0.5 | 0.88 |
215 | J7C | 0.5 | 0.731707 |
216 | ZAS | 0.5 | 0.728395 |
217 | 38V | 0.5 | 0.843373 |
218 | 8X1 | 0.5 | 0.777778 |
219 | AV2 | 0.5 | 0.87013 |
220 | AF3 ADP 3PG | 0.5 | 0.797619 |
221 | RGT | 0.5 | 0.909091 |
222 | NJP | 0.5 | 0.897436 |
223 | NVA LMS | 0.5 | 0.777778 |
224 | M24 | 0.5 | 0.809524 |
225 | 5CA | 0.5 | 0.825581 |
226 | ARU | 0.5 | 0.819277 |
227 | A3N | 0.5 | 0.746835 |
228 | D4F | 0.495798 | 0.843373 |
229 | NPW | 0.495575 | 0.843373 |
230 | NDP | 0.495575 | 0.875 |
231 | NAD TDB | 0.495495 | 0.87013 |
232 | NAD IBO | 0.495495 | 0.87013 |
233 | LEU LMS | 0.49505 | 0.736264 |
234 | DDS | 0.494737 | 0.833333 |
235 | S4M | 0.494382 | 0.655556 |
236 | 6MZ | 0.494382 | 0.881579 |
237 | 6FA | 0.492188 | 0.802326 |
238 | DZD | 0.491379 | 0.841463 |
239 | NZQ | 0.491228 | 0.864198 |
240 | P5A | 0.490196 | 0.769231 |
241 | LSS | 0.49 | 0.786517 |
242 | DSZ | 0.49 | 0.825581 |
243 | MAO | 0.488889 | 0.724138 |
244 | DSH | 0.488636 | 0.710843 |
245 | P1H | 0.488 | 0.811765 |
246 | N0B | 0.487603 | 0.781609 |
247 | YLY | 0.487395 | 0.772727 |
248 | ODP | 0.486957 | 0.864198 |
249 | 8PZ | 0.485714 | 0.825581 |
250 | 9K8 | 0.485437 | 0.758242 |
251 | FAS | 0.484615 | 0.811765 |
252 | FAD | 0.484615 | 0.811765 |
253 | SFD | 0.484615 | 0.776596 |
254 | FDA | 0.484375 | 0.795455 |
255 | O02 | 0.484211 | 0.875 |
256 | DAT | 0.483871 | 0.858974 |
257 | 5X8 | 0.483871 | 0.746835 |
258 | NAJ PZO | 0.483051 | 0.807229 |
259 | 7MC | 0.482143 | 0.802326 |
260 | NWW | 0.481481 | 0.72 |
261 | 62F | 0.481203 | 0.821429 |
262 | LQJ | 0.481132 | 0.87013 |
263 | PO4 PO4 A A A A PO4 | 0.480392 | 0.855263 |
264 | 7DD | 0.478261 | 0.932432 |
265 | TXP | 0.478261 | 0.875 |
266 | GJV | 0.477778 | 0.714286 |
267 | NDE | 0.47619 | 0.884615 |
268 | KAA | 0.475728 | 0.777778 |
269 | GSU | 0.475728 | 0.804598 |
270 | 5AD | 0.474359 | 0.706667 |
271 | A3G | 0.47191 | 0.759494 |
272 | K3K | 0.471698 | 0.7625 |
273 | XNP | 0.470085 | 0.831325 |
274 | AMP NAD | 0.470085 | 0.858974 |
275 | 4TA | 0.470085 | 0.770115 |
276 | GP3 | 0.46875 | 0.875 |
277 | NDC | 0.46875 | 0.829268 |
278 | 6C6 | 0.46875 | 0.8375 |
279 | 7D7 | 0.468354 | 0.705128 |
280 | SFG | 0.468085 | 0.7125 |
281 | YSA | 0.46729 | 0.804598 |
282 | NAJ PYZ | 0.467213 | 0.770115 |
283 | FAY | 0.466667 | 0.821429 |
284 | DCA | 0.466667 | 0.786517 |
285 | ETB | 0.466667 | 0.795455 |
286 | 128 | 0.464286 | 0.741573 |
287 | RFL | 0.463235 | 0.784091 |
288 | PUA | 0.46281 | 0.841463 |
289 | A7D | 0.462366 | 0.759494 |
290 | FNK | 0.459259 | 0.769231 |
291 | 0T1 | 0.459016 | 0.786517 |
292 | COA | 0.459016 | 0.806818 |
293 | 7C5 | 0.458716 | 0.777778 |
294 | A5D | 0.458333 | 0.792208 |
295 | SA8 | 0.458333 | 0.674419 |
296 | MHZ | 0.457447 | 0.666667 |
297 | 71V | 0.456522 | 0.910256 |
298 | 8Q2 | 0.45614 | 0.797753 |
299 | NEC | 0.455556 | 0.708861 |
300 | GGZ | 0.455446 | 0.851852 |
301 | B1U | 0.453704 | 0.76087 |
302 | SAH | 0.453608 | 0.728395 |
303 | SAI | 0.453608 | 0.698795 |
304 | Y3J | 0.451219 | 0.688312 |
305 | GEK | 0.45098 | 0.722892 |
306 | AS | 0.450549 | 0.884615 |
307 | 4YB | 0.45045 | 0.786517 |
308 | SMM | 0.45 | 0.674157 |
309 | GTP | 0.45 | 0.873418 |
310 | V47 | 0.45 | 0.74359 |
311 | K3E | 0.449541 | 0.753086 |
312 | 6IA | 0.44898 | 0.797619 |
313 | SAM | 0.44898 | 0.678161 |
314 | AMX | 0.448 | 0.795455 |
315 | COS | 0.448 | 0.808989 |
316 | CAO | 0.448 | 0.8 |
317 | 30N | 0.448 | 0.776596 |
318 | TAP | 0.448 | 0.935065 |
319 | J4G | 0.447619 | 0.873418 |
320 | SCO | 0.444444 | 0.786517 |
321 | AAT | 0.444444 | 0.714286 |
322 | CMX | 0.444444 | 0.786517 |
323 | EEM | 0.444444 | 0.659091 |
324 | P5F | 0.443662 | 0.786517 |
325 | KOY | 0.442478 | 0.7625 |
326 | PGS | 0.442105 | 0.910256 |
327 | FCX | 0.440945 | 0.76087 |
328 | ACO | 0.440945 | 0.8 |
329 | FAM | 0.440945 | 0.769231 |
330 | 2SA | 0.44 | 0.884615 |
331 | HDV | 0.44 | 0.848101 |
332 | NAP | 0.44 | 0.896104 |
333 | 9JJ | 0.439716 | 0.821429 |
334 | APU | 0.439655 | 0.85 |
335 | D5M | 0.43956 | 0.833333 |
336 | DA | 0.43956 | 0.833333 |
337 | HAX | 0.4375 | 0.769231 |
338 | QXP | 0.436893 | 0.811765 |
339 | Z5A | 0.436508 | 0.744444 |
340 | DG1 | 0.436508 | 0.875 |
341 | 1DG | 0.436508 | 0.875 |
342 | V1N | 0.436364 | 0.87013 |
343 | S7M | 0.435644 | 0.678161 |
344 | 2MC | 0.435115 | 0.774194 |
345 | 649 | 0.434783 | 0.769231 |
346 | WSA | 0.434783 | 0.813953 |
347 | AAM | 0.434783 | 0.918919 |
348 | CZF | 0.434343 | 0.883117 |
349 | 3KK | 0.434109 | 0.808989 |
350 | FYN | 0.434109 | 0.806818 |
351 | NMN AMP PO4 | 0.433333 | 0.82716 |
352 | 7L1 | 0.433071 | 0.8 |
353 | NA0 | 0.433071 | 0.884615 |
354 | C2R | 0.431818 | 0.857143 |
355 | AMZ | 0.431818 | 0.868421 |
356 | A3S | 0.431579 | 0.769231 |
357 | SOP | 0.430769 | 0.788889 |
358 | CA6 | 0.430769 | 0.752577 |
359 | YZS | 0.430769 | 0.770833 |
360 | MCD | 0.430769 | 0.769231 |
361 | KGP | 0.430769 | 0.770833 |
362 | OXK | 0.430769 | 0.808989 |
363 | COK | 0.430769 | 0.808989 |
364 | QBQ | 0.43 | 0.860759 |
365 | GNH | 0.43 | 0.8625 |
366 | 62X | 0.428571 | 0.637363 |
367 | 101 | 0.428571 | 0.833333 |
368 | N6P | 0.428571 | 0.866667 |
369 | NVA 2AD | 0.428571 | 0.722892 |
370 | F2N | 0.427586 | 0.777778 |
371 | CO6 | 0.427481 | 0.808989 |
372 | CMC | 0.427481 | 0.788889 |
373 | NMX | 0.427481 | 0.729167 |
374 | 1VU | 0.427481 | 0.8 |
375 | GKE | 0.427273 | 0.841463 |
376 | GDC | 0.427273 | 0.841463 |
377 | K2W | 0.427273 | 0.705882 |
378 | GDD | 0.427273 | 0.841463 |
379 | NWQ | 0.426966 | 0.701299 |
380 | SCA | 0.425373 | 0.808989 |
381 | 9BG | 0.425 | 0.851852 |
382 | FA9 | 0.424658 | 0.823529 |
383 | A6D | 0.424528 | 0.729412 |
384 | QXG | 0.424528 | 0.802326 |
385 | K15 | 0.424528 | 0.651685 |
386 | CAJ | 0.424242 | 0.769231 |
387 | SCD | 0.424242 | 0.786517 |
388 | N5O | 0.423913 | 0.725 |
389 | AIR | 0.423529 | 0.853333 |
390 | 6K6 | 0.423077 | 0.881579 |
391 | A3T | 0.42268 | 0.779221 |
392 | NIA | 0.422222 | 0.783133 |
393 | KGA | 0.422222 | 0.714286 |
394 | K38 | 0.422018 | 0.740741 |
395 | NHD | 0.421488 | 0.858974 |
396 | KGJ | 0.421053 | 0.721649 |
397 | 3HC | 0.421053 | 0.818182 |
398 | IVC | 0.421053 | 0.818182 |
399 | MLC | 0.421053 | 0.808989 |
400 | BCO | 0.421053 | 0.808989 |
401 | 1HE | 0.421053 | 0.791209 |
402 | A1S | 0.421053 | 0.788889 |
403 | 12D | 0.421053 | 0.75 |
404 | R2V | 0.420561 | 0.811765 |
405 | 1CZ | 0.42029 | 0.820225 |
406 | GDP | 0.42 | 0.873418 |
407 | 0UM | 0.419048 | 0.666667 |
408 | FAJ | 0.418919 | 0.793103 |
409 | CAA | 0.41791 | 0.818182 |
410 | COO | 0.41791 | 0.808989 |
411 | MCA | 0.41791 | 0.8 |
412 | LCV | 0.41791 | 0.762887 |
413 | YE1 | 0.41791 | 0.777778 |
414 | SO5 | 0.41791 | 0.762887 |
415 | GCP | 0.417476 | 0.851852 |
416 | G1R | 0.417476 | 0.8625 |
417 | OZP | 0.417391 | 0.694118 |
418 | NAD CJ3 | 0.417266 | 0.837209 |
419 | SXZ | 0.416667 | 0.697674 |
420 | O05 | 0.416667 | 0.804598 |
421 | K2H | 0.415094 | 0.719512 |
422 | N5A | 0.414894 | 0.7 |
423 | YXS | 0.414815 | 0.770833 |
424 | MC4 | 0.414815 | 0.765957 |
425 | YXR | 0.414815 | 0.770833 |
426 | 2CP | 0.414815 | 0.78022 |
427 | K3H | 0.414414 | 0.714286 |
428 | ZDA | 0.414141 | 0.820513 |
429 | KY2 | 0.413462 | 0.697674 |
430 | NAD BBN | 0.413043 | 0.802326 |
431 | KB1 | 0.412844 | 0.666667 |
432 | COW | 0.411765 | 0.8 |
433 | KFV | 0.411765 | 0.742268 |
434 | IRC | 0.411765 | 0.818182 |
435 | 1GZ | 0.411765 | 0.8 |
436 | HGG | 0.411765 | 0.808989 |
437 | MGP | 0.411765 | 0.841463 |
438 | BYC | 0.411765 | 0.808989 |
439 | 3AD | 0.411765 | 0.763158 |
440 | 3CP | 0.411765 | 0.788889 |
441 | 2KQ | 0.411765 | 0.791209 |
442 | CA8 | 0.411765 | 0.770833 |
443 | COF | 0.411765 | 0.771739 |
444 | N01 | 0.41129 | 0.858974 |
445 | PLP AAD | 0.41129 | 0.73913 |
446 | S8M | 0.409524 | 0.743902 |
447 | COA FLC | 0.409449 | 0.775281 |
448 | FAQ | 0.408759 | 0.808989 |
449 | BCA | 0.408759 | 0.8 |
450 | 4CA | 0.408759 | 0.78022 |
451 | 7RP | 0.408602 | 0.878378 |
452 | 2VA | 0.408163 | 0.759494 |
453 | 6G0 | 0.407767 | 0.841463 |
454 | CO7 | 0.407407 | 0.808989 |
455 | K2K | 0.407407 | 0.702381 |
456 | 26A | 0.406977 | 0.725 |
457 | Q34 | 0.40678 | 0.644444 |
458 | QQX | 0.406593 | 0.857143 |
459 | GRA | 0.405797 | 0.808989 |
460 | HXC | 0.405797 | 0.791209 |
461 | KYB | 0.40566 | 0.697674 |
462 | KL2 | 0.404494 | 0.794872 |
463 | 7RA | 0.404255 | 0.906667 |
464 | FAI | 0.404255 | 0.868421 |
465 | GPG | 0.40367 | 0.864198 |
466 | K2R | 0.40367 | 0.835443 |
467 | TGC | 0.402878 | 0.8 |
468 | SP1 | 0.402174 | 0.894737 |
469 | QQY | 0.402174 | 0.844156 |
470 | RP1 | 0.402174 | 0.894737 |
471 | ACK | 0.402174 | 0.815789 |
472 | DZ4 | 0.401961 | 0.8375 |
473 | KYE | 0.401786 | 0.681818 |
474 | APC G U | 0.401575 | 0.795181 |
475 | 8BR | 0.4 | 0.860759 |
476 | KY5 | 0.4 | 0.690476 |
477 | 9GM | 0.4 | 0.851852 |
478 | GNP | 0.4 | 0.851852 |
479 | SLU | 0.4 | 0.816092 |
480 | KXW | 0.4 | 0.674419 |
481 | S0N | 0.4 | 0.769231 |
482 | CO8 | 0.4 | 0.791209 |
483 | CIC | 0.4 | 0.788889 |
484 | 2NE | 0.4 | 0.791209 |
485 | TM1 | 0.4 | 0.738636 |
486 | EO7 | 0.4 | 0.813953 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ADP ALF | 0.9782 |
2 | ADP AF3 | 0.9674 |
3 | GDP AF3 | 0.9569 |
4 | ALF GDP | 0.9557 |
5 | GDP ALF | 0.9520 |
6 | GDP BEF | 0.9444 |
7 | DBG | 0.9424 |
8 | BEF GDP | 0.9401 |
9 | DGT | 0.9355 |
10 | UTP | 0.9231 |
11 | CTP | 0.9211 |
12 | 2KH | 0.9090 |
13 | DCP | 0.9032 |
14 | GH3 | 0.9015 |
15 | TTP | 0.8934 |
16 | GDP MG | 0.8916 |
17 | Y9Z | 0.8809 |
18 | ALF 5GP | 0.8802 |
19 | NYZ | 0.8703 |
20 | IDP | 0.8674 |
21 | NX8 | 0.8652 |
22 | D3T | 0.8642 |
23 | DGI | 0.8617 |
24 | 8DG | 0.8610 |
25 | GP2 | 0.8595 |
26 | DUP | 0.8579 |
27 | M7G | 0.8576 |
This union binding pocket(no: 1) in the query (biounit: 4xcl.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |