Receptor
PDB id Resolution Class Description Source Keywords
1PQ5 0.85 Å EC: 3.4.21.4 TRYPSIN AT PH 5, 0.85 A FUSARIUM OXYSPORUM TRYPSIN SERINE PROTEASE CATALYSIS HYDROLASE
Ref.: TRYPSIN REVISITED: CRYSTALLOGRAPHY AT (SUB) ATOMIC RESOLUTION AND QUANTUM CHEMISTRY REVEALING DETAILS CATALYSIS. J.BIOL.CHEM. V. 278 43357 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ARG A:703;
Valid;
none;
submit data
175.209 C6 H15 N4 O2 C(C[C...
SO4 A:601;
A:602;
A:603;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1PQ7 0.8 Å EC: 3.4.21.4 TRYPSIN AT 0.8 A, PH5 / BORAX FUSARIUM OXYSPORUM TRYPSIN CATALYSIS HYDROLASE
Ref.: TRYPSIN REVISITED: CRYSTALLOGRAPHY AT (SUB) ATOMIC RESOLUTION AND QUANTUM CHEMISTRY REVEALING DETAILS CATALYSIS. J.BIOL.CHEM. V. 278 43357 2003
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 1GDN - GLY ALA LYS n/a n/a
2 1FY5 - GLY ALA LYS n/a n/a
3 1FY4 - GLY ALA ARG n/a n/a
4 1PQ8 - GLY GLY ARG n/a n/a
5 1FN8 - GLY ALA ARG n/a n/a
6 1PQ7 - ARG C6 H15 N4 O2 C(C[C@@H](....
7 1PQ5 - ARG C6 H15 N4 O2 C(C[C@@H](....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1GDN - GLY ALA LYS n/a n/a
2 1FY5 - GLY ALA LYS n/a n/a
3 1FY4 - GLY ALA ARG n/a n/a
4 1PQ8 - GLY GLY ARG n/a n/a
5 1FN8 - GLY ALA ARG n/a n/a
6 1PQ7 - ARG C6 H15 N4 O2 C(C[C@@H](....
7 1PQ5 - ARG C6 H15 N4 O2 C(C[C@@H](....
50% Homology Family (468)
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)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ARG; Similar ligands found: 47
No: Ligand ECFP6 Tc MDL keys Tc
1 DAR 1 1
2 ARG 1 1
3 CIR 0.735294 0.763158
4 AAR 0.705882 0.783784
5 ILO 0.615385 0.783784
6 3AR 0.595238 0.891892
7 4JK 0.585366 0.789474
8 NMM 0.585366 0.888889
9 HAR 0.585366 0.780488
10 VUR 0.585366 0.810811
11 VIO 0.581395 0.769231
12 WT2 0.571429 0.805556
13 DA2 0.55814 0.744186
14 2YH 0.545455 0.65
15 3KJ 0.545455 0.680851
16 2MR 0.545455 0.864865
17 1KJ 0.533333 0.744186
18 JM2 0.533333 0.731707
19 NRG 0.521739 0.622642
20 RPI 0.521739 0.64
21 2YJ 0.521739 0.619048
22 API 0.515152 0.611111
23 LN6 0.510638 0.725
24 JM7 0.5 0.731707
25 ARG VAL 0.5 0.744186
26 HRG 0.5 0.941176
27 LYS ARG LYS ARG LYS ARG LYS ARG 0.5 0.848485
28 AS1 0.489796 0.8
29 D20 0.489796 0.744186
30 2KJ 0.489796 0.727273
31 ORN 0.472222 0.757576
32 JM4 0.470588 0.697674
33 JM6 0.470588 0.697674
34 JM8 0.470588 0.714286
35 MLZ 0.463415 0.65
36 ARG ASP 0.461538 0.744186
37 JM5 0.461538 0.714286
38 ARG GLU 0.45283 0.761905
39 DLY 0.447368 0.735294
40 DAB 0.441176 0.685714
41 LYS 0.435897 0.764706
42 0TF 0.428571 0.619048
43 2YG 0.42 0.619048
44 ALA ARG 0.42 0.780488
45 PG3 0.416667 0.756757
46 6CL 0.414634 0.638889
47 BEZ NLE LYS ARG OAR 0.413793 0.75
Similar Ligands (3D)
Ligand no: 1; Ligand: ARG; Similar ligands found: 663
No: Ligand Similarity coefficient
1 2M7 1.0000
2 GGB 0.9987
3 MLY 0.9957
4 NPI 0.9877
5 IAR 0.9808
6 6HN 0.9763
7 EXY 0.9757
8 DHH 0.9716
9 ABH 0.9712
10 JX7 0.9650
11 ZZU 0.9621
12 26P 0.9575
13 L06 0.9562
14 LVD 0.9550
15 NNH 0.9549
16 M3L 0.9547
17 AHL 0.9544
18 EGV 0.9522
19 HOC 0.9487
20 ENW 0.9464
21 2FM 0.9456
22 4DI 0.9455
23 ENV 0.9446
24 LPB 0.9434
25 E8U 0.9434
26 PML 0.9432
27 FB6 0.9418
28 CLT 0.9417
29 2NP 0.9415
30 11C 0.9411
31 GVA 0.9410
32 UN1 0.9406
33 NOT 0.9392
34 4ZD 0.9385
35 9YT 0.9379
36 SZ7 0.9358
37 AHN 0.9352
38 011 0.9351
39 TEG 0.9349
40 OOG 0.9343
41 4TB 0.9342
42 ONH 0.9341
43 58X 0.9339
44 OCA 0.9336
45 M3P 0.9334
46 SLZ 0.9329
47 Z70 0.9329
48 HFA 0.9326
49 2OR 0.9326
50 5AB 0.9322
51 S2C 0.9322
52 P80 0.9321
53 XRS 0.9321
54 LPA 0.9316
55 N8C 0.9313
56 ALY 0.9308
57 FK8 0.9307
58 PHE 0.9305
59 XRX 0.9303
60 MF3 0.9298
61 PBA 0.9284
62 LYN 0.9275
63 A51 0.9262
64 8AC 0.9262
65 N9J 0.9260
66 1HS 0.9259
67 NFZ 0.9256
68 9J6 0.9255
69 64Z 0.9254
70 DHC 0.9247
71 LUQ 0.9238
72 KAP 0.9233
73 GRQ 0.9231
74 DDK 0.9230
75 NFA 0.9227
76 J9Y 0.9226
77 MHN 0.9223
78 6C4 0.9221
79 AOY 0.9217
80 HIC 0.9217
81 7OD 0.9216
82 GB5 0.9212
83 M1T 0.9212
84 HCI 0.9211
85 KDG 0.9210
86 KNA 0.9208
87 DNN 0.9207
88 TYR 0.9205
89 HJD 0.9205
90 F98 0.9205
91 DA3 0.9204
92 1N5 0.9202
93 Q9Z 0.9201
94 YZM 0.9198
95 CXP 0.9196
96 AG2 0.9195
97 DKA 0.9193
98 LZ5 0.9190
99 SB7 0.9188
100 DXG 0.9185
101 1PS 0.9183
102 DZA 0.9182
103 4YZ 0.9182
104 PFF 0.9180
105 DTY 0.9179
106 5OY 0.9175
107 YOF 0.9174
108 KPV 0.9173
109 CCU 0.9173
110 DAH 0.9171
111 7XA 0.9171
112 FXY 0.9169
113 3YP 0.9168
114 11X 0.9168
115 6C5 0.9166
116 5PV 0.9163
117 M6H 0.9161
118 EN1 0.9161
119 RGP 0.9159
120 PRO GLY 0.9159
121 DDW 0.9158
122 GLR 0.9158
123 3H2 0.9154
124 XI7 0.9153
125 TCA 0.9153
126 HC4 0.9152
127 ODI 0.9149
128 3GZ 0.9149
129 B3U 0.9142
130 T03 0.9141
131 O45 0.9141
132 AE3 0.9140
133 OC9 0.9137
134 PO6 0.9137
135 HLP 0.9134
136 PBN 0.9132
137 DLT 0.9131
138 P81 0.9131
139 P7Y 0.9129
140 5KJ 0.9128
141 G3M 0.9126
142 TB8 0.9126
143 6C9 0.9125
144 HGA 0.9124
145 HPP 0.9121
146 4TP 0.9120
147 C82 0.9120
148 P93 0.9119
149 AHC 0.9117
150 0L1 0.9115
151 IVL 0.9115
152 HPL 0.9113
153 6FG 0.9113
154 E79 0.9112
155 650 0.9112
156 SPD 0.9112
157 TZM 0.9109
158 PPT 0.9109
159 DER 0.9106
160 KPC 0.9105
161 DIR 0.9103
162 XOG 0.9103
163 CUW 0.9093
164 TZP 0.9090
165 1BN 0.9090
166 NSD 0.9084
167 OJD 0.9083
168 JFM 0.9082
169 S2P 0.9081
170 4BF 0.9080
171 HIS 0.9079
172 ENO 0.9079
173 IYR 0.9079
174 2JJ 0.9078
175 PHI 0.9073
176 0A9 0.9068
177 J4K 0.9065
178 DIA 0.9064
179 AOT 0.9064
180 LL2 0.9063
181 TYC 0.9063
182 3VQ 0.9061
183 S0W 0.9061
184 MJW 0.9060
185 PPY 0.9059
186 EYJ 0.9058
187 OYA 0.9058
188 Q06 0.9055
189 KPA 0.9054
190 XIZ 0.9054
191 SB9 0.9052
192 MD6 0.9050
193 RP3 0.9050
194 5LD 0.9050
195 S8V 0.9046
196 TYE 0.9044
197 S7D 0.9037
198 848 0.9036
199 DPN 0.9035
200 2J3 0.9034
201 I58 0.9033
202 7C3 0.9030
203 GZ2 0.9030
204 KTA 0.9029
205 D10 0.9028
206 GAE 0.9028
207 7BC 0.9027
208 BNF 0.9024
209 F90 0.9023
210 KQY 0.9022
211 TOH 0.9021
212 4LW 0.9020
213 37E 0.9018
214 5TO 0.9013
215 SHV 0.9013
216 NWH 0.9012
217 6MW 0.9012
218 G14 0.9010
219 EQA 0.9010
220 ACA 0.9009
221 4LV 0.9008
222 IJ6 0.9005
223 1H1 0.9002
224 GO2 0.9000
225 AZM 0.8999
226 1L5 0.8998
227 FOM 0.8997
228 ISA 0.8996
229 C53 0.8995
230 HX8 0.8988
231 ODK 0.8987
232 KLS 0.8986
233 4BX 0.8984
234 HNL 0.8984
235 R10 0.8983
236 3PG 0.8981
237 DHM 0.8981
238 HPO 0.8981
239 7UC 0.8978
240 3QO 0.8978
241 SHI 0.8978
242 BRH 0.8978
243 3IP 0.8977
244 GLY GLY GLY 0.8975
245 HSA 0.8973
246 PH3 0.8973
247 B40 0.8972
248 QFJ 0.8972
249 5DL 0.8972
250 MES 0.8969
251 HG3 0.8969
252 AKG 0.8966
253 SEP 0.8965
254 HL4 0.8965
255 RA7 0.8964
256 8SZ 0.8963
257 4Z0 0.8962
258 ZZA 0.8962
259 SOJ 0.8961
260 7R4 0.8961
261 NMH 0.8960
262 DXP 0.8960
263 492 0.8958
264 PA5 0.8957
265 SSC 0.8957
266 DEZ 0.8956
267 0A1 0.8956
268 YIE 0.8955
269 S0A 0.8952
270 MMS 0.8949
271 HPN 0.8947
272 9GB 0.8946
273 2HC 0.8944
274 DYT 0.8941
275 HXY 0.8941
276 4FE 0.8940
277 TPM 0.8939
278 4XF 0.8937
279 268 0.8936
280 FER 0.8935
281 JF5 0.8935
282 QH3 0.8931
283 ABF 0.8931
284 X48 0.8928
285 S8D 0.8927
286 EQW 0.8925
287 KLE 0.8925
288 BSA 0.8924
289 GJK 0.8922
290 F06 0.8921
291 LLH 0.8920
292 VC3 0.8919
293 JPQ 0.8918
294 6Q3 0.8918
295 ALE 0.8915
296 36M 0.8915
297 D4G 0.8914
298 ALA GLU 0.8913
299 258 0.8911
300 GLU 0.8911
301 0NX 0.8909
302 92G 0.8909
303 TBJ 0.8909
304 7MW 0.8908
305 GGG 0.8908
306 R9J 0.8907
307 DI6 0.8907
308 MEQ 0.8906
309 PAU 0.8905
310 RQD 0.8904
311 D8Q 0.8904
312 6HO 0.8904
313 GNW 0.8903
314 9VQ 0.8903
315 13P 0.8903
316 9C2 0.8902
317 YIP 0.8900
318 BZQ 0.8900
319 TMG 0.8899
320 3VW 0.8898
321 M5E 0.8897
322 M74 0.8896
323 2FX 0.8893
324 PRA 0.8892
325 OGA 0.8892
326 IPO 0.8892
327 GCO 0.8891
328 HJH 0.8890
329 QUS 0.8890
330 A5E 0.8887
331 B41 0.8886
332 GOE 0.8886
333 BL0 0.8884
334 BHU 0.8882
335 I2E 0.8880
336 E0O 0.8879
337 0XR 0.8878
338 N6C 0.8877
339 HX4 0.8877
340 3CX 0.8875
341 SNR 0.8875
342 YPN 0.8873
343 M5B 0.8872
344 CUQ 0.8871
345 K6V 0.8868
346 5DS 0.8868
347 5XA 0.8867
348 KYN 0.8866
349 YIH 0.8865
350 5O5 0.8865
351 GVY 0.8865
352 795 0.8864
353 LT1 0.8864
354 4KJ 0.8862
355 7O4 0.8861
356 DMA 0.8861
357 Y3L 0.8860
358 56D 0.8860
359 S8G 0.8858
360 AT3 0.8857
361 3OL 0.8855
362 3OM 0.8855
363 14W 0.8854
364 PMV 0.8854
365 R5P 0.8853
366 263 0.8853
367 1X4 0.8850
368 R2P 0.8850
369 6XA 0.8849
370 6C8 0.8849
371 SSB 0.8848
372 S0F 0.8847
373 FHC 0.8847
374 BP7 0.8846
375 DX5 0.8846
376 8CC 0.8845
377 61M 0.8845
378 1YO 0.8845
379 LXP 0.8845
380 I38 0.8845
381 6FR 0.8844
382 OHJ 0.8844
383 TIH 0.8844
384 47V 0.8842
385 4FP 0.8842
386 GLN 0.8841
387 FHV 0.8838
388 ONL 0.8837
389 RAT 0.8837
390 6ZX 0.8835
391 P58 0.8834
392 A5P 0.8833
393 RE4 0.8832
394 IAC 0.8830
395 XCG 0.8829
396 ATX 0.8829
397 FB5 0.8829
398 CS2 0.8827
399 G3P 0.8827
400 7VP 0.8827
401 BVS 0.8826
402 5SP 0.8826
403 H35 0.8825
404 QIV 0.8825
405 IPE 0.8824
406 RP5 0.8823
407 LX1 0.8823
408 CCD 0.8820
409 D3G 0.8818
410 NYL 0.8817
411 ASF 0.8816
412 XDE 0.8816
413 54F 0.8815
414 EOU 0.8815
415 68B 0.8812
416 MVH 0.8812
417 E4P 0.8809
418 AMQ 0.8809
419 2D2 0.8808
420 Q04 0.8807
421 G3H 0.8807
422 M75 0.8805
423 HHI 0.8802
424 FZM 0.8802
425 NTU 0.8800
426 DED 0.8800
427 M45 0.8799
428 ZIP 0.8799
429 SME 0.8799
430 HPV 0.8798
431 TRP 0.8798
432 CXH 0.8797
433 HSX 0.8795
434 RES 0.8794
435 L22 0.8794
436 QME 0.8793
437 GB4 0.8790
438 6P3 0.8790
439 XQI 0.8789
440 2IT 0.8789
441 GGL 0.8789
442 N7I 0.8788
443 1OV 0.8787
444 PTB 0.8786
445 BZM 0.8786
446 9BF 0.8786
447 3XH 0.8785
448 2FT 0.8784
449 0ON 0.8783
450 PLP 0.8781
451 A3M 0.8781
452 JMG 0.8780
453 DHI 0.8780
454 9B3 0.8780
455 MSL 0.8780
456 DGL 0.8779
457 22F 0.8778
458 X1R 0.8777
459 NF3 0.8777
460 0OL 0.8776
461 HL6 0.8775
462 4CF 0.8771
463 S2G 0.8771
464 0K7 0.8770
465 P3S 0.8769
466 1VK 0.8765
467 363 0.8764
468 E3X 0.8762
469 CBE 0.8761
470 NK5 0.8759
471 27K 0.8759
472 BNL 0.8759
473 5H6 0.8758
474 BPW 0.8757
475 YE6 0.8755
476 MPV 0.8755
477 FWD 0.8755
478 1A5 0.8754
479 A5H 0.8754
480 Y4L 0.8754
481 6L6 0.8753
482 9JT 0.8753
483 N2Y 0.8752
484 EYV 0.8751
485 5WN 0.8751
486 LR2 0.8750
487 6J5 0.8750
488 GUA 0.8747
489 B3M 0.8746
490 WA2 0.8744
491 5OO 0.8743
492 S0D 0.8743
493 JCZ 0.8742
494 FF2 0.8741
495 KTJ 0.8740
496 TX4 0.8739
497 SYM 0.8739
498 5WZ 0.8736
499 DGN 0.8735
500 3VX 0.8735
501 TL6 0.8733
502 IOP 0.8733
503 IP8 0.8731
504 0QA 0.8731
505 9ON 0.8731
506 A8K 0.8729
507 3HG 0.8729
508 LDP 0.8729
509 GPJ 0.8728
510 GPF 0.8728
511 S6P 0.8727
512 5RP 0.8727
513 152 0.8727
514 D2G 0.8725
515 1Z6 0.8725
516 SOL 0.8725
517 FZ3 0.8724
518 U4G 0.8723
519 PLR 0.8721
520 2HG 0.8717
521 CFA 0.8717
522 9SE 0.8717
523 8GL 0.8716
524 ZRK 0.8716
525 MNP 0.8713
526 J9N 0.8712
527 6SD 0.8712
528 GP9 0.8711
529 KMY 0.8710
530 OCT 0.8710
531 URO 0.8708
532 SOR 0.8707
533 KMH 0.8705
534 WA1 0.8705
535 ERZ 0.8703
536 TLM 0.8702
537 0OY 0.8701
538 LO1 0.8700
539 HWD 0.8700
540 LSQ 0.8700
541 4Z3 0.8699
542 DHY 0.8698
543 RKV 0.8698
544 MHO 0.8697
545 LJ1 0.8696
546 3C4 0.8696
547 3VS 0.8695
548 XX3 0.8695
549 F6R 0.8694
550 N91 0.8694
551 HNM 0.8692
552 CPZ 0.8692
553 XDK 0.8691
554 3S5 0.8691
555 50C 0.8690
556 BQ2 0.8690
557 FCD 0.8687
558 MUK 0.8687
559 JAH 0.8683
560 41K 0.8682
561 M6R 0.8682
562 IPR 0.8681
563 PGH 0.8681
564 PAN 0.8681
565 MT2 0.8680
566 MSR 0.8678
567 8CV 0.8677
568 OKP 0.8674
569 SNU 0.8673
570 D1G 0.8672
571 1HR 0.8669
572 V15 0.8669
573 K7M 0.8669
574 CIY 0.8667
575 U13 0.8667
576 3CR 0.8666
577 129 0.8666
578 3D3 0.8659
579 ZEA 0.8655
580 CHH 0.8655
581 PC 0.8655
582 CCE 0.8653
583 F18 0.8652
584 1GP 0.8651
585 X6P 0.8649
586 AEH 0.8648
587 2ED 0.8648
588 H4E 0.8645
589 CK2 0.8645
590 HE8 0.8642
591 TID 0.8642
592 KTW 0.8642
593 VM1 0.8641
594 EIP 0.8641
595 HHH 0.8640
596 IOS 0.8637
597 0SY 0.8636
598 DST 0.8636
599 ALA ALA 0.8635
600 JZA 0.8634
601 0OP 0.8633
602 EGR 0.8632
603 FPL 0.8631
604 ISY 0.8630
605 RUJ 0.8630
606 ESX 0.8629
607 A5Q 0.8628
608 5VU 0.8627
609 D9Z 0.8626
610 B21 0.8626
611 MET 0.8623
612 TAG 0.8622
613 AAN 0.8620
614 GLO 0.8618
615 YTX 0.8616
616 RNO 0.8615
617 IWT 0.8614
618 XEN 0.8612
619 F4E 0.8611
620 ICT 0.8608
621 J6W 0.8607
622 36Y 0.8605
623 OJM 0.8605
624 DTR 0.8604
625 G6Q 0.8601
626 G6P 0.8599
627 C5A 0.8599
628 PSE 0.8598
629 A29 0.8598
630 RTK 0.8597
631 ESP 0.8595
632 80G 0.8590
633 AEF 0.8589
634 F63 0.8589
635 STT 0.8588
636 SNO 0.8588
637 BZE 0.8587
638 K6H 0.8586
639 SX2 0.8586
640 AMH 0.8584
641 ESI 0.8581
642 3LJ 0.8580
643 55D 0.8580
644 6TZ 0.8579
645 78Y 0.8577
646 EVF 0.8576
647 1A7 0.8569
648 428 0.8565
649 LNR 0.8564
650 8YH 0.8562
651 NM3 0.8562
652 9ZE 0.8561
653 R20 0.8557
654 7EH 0.8550
655 YTZ 0.8550
656 6PG 0.8548
657 DTB 0.8546
658 M1Z 0.8545
659 AFS 0.8534
660 6KT 0.8531
661 0F3 0.8517
662 AGP 0.8514
663 CWD 0.8510
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1PQ7; Ligand: ARG; Similar sites found with APoc: 16
This union binding pocket(no: 1) in the query (biounit: 1pq7.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 5L2Z 70C 47.3214
2 2EC9 24X 47.3214
3 2B7D C1B 47.3214
4 1YGC 905 47.3214
5 3UTU 1TS 49.5536
6 4AX9 N5N 49.5536
7 1D9I 00P 49.5536
8 1EB1 ZAL PRO MMO 49.5536
9 2ANM CDO 49.5536
10 1SL3 170 49.5536
11 3VXE DPN PRO ARG 49.5536
12 1TMT DPN PRO ARG 49.5536
13 1ETS MID 49.5536
14 6GWE ODB 49.5536
15 2A2X NA9 49.5536
16 2ANK N12 49.5536
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