Receptor
PDB id Resolution Class Description Source Keywords
4UD9 1.12 Å EC: 3.4.21.5 THROMBIN IN COMPLEX WITH 5-CHLOROTHIOPHENE-2-CARBOXAMIDE HOMO SAPIENS HYDROLASE HYDROLASE INHIBITOR COMPLEX SERINE PROTEASE BLOCOAGULATION BLOOD CLOTTING CONVERTION OF FIBRINOGEN TO FIBLOOD CLOTTING INHIBITOR THROMBIN INHIBITOR FRAGMENT GLYCOSYLATION BLOOD
Ref.: FRAGMENTS CAN BIND EITHER MORE ENTHALPY OR ENTROPY-CRYSTAL STRUCTURES AND RESIDUAL HYDRATION PATTERN S WHY. J.MED.CHEM. V. 58 6960 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA H:1248;
H:1247;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
22.99 Na [Na+]
EDO H:1256;
H:1255;
 Invalid;
Invalid;
 none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
GOL H:1252;
H:1254;
H:1253;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
DMS H:1251;
H:1250;
 Invalid;
Invalid;
 none;
none;
 submit data
78.133 C2 H6 O S CS(=O...
TYS H:1259;
 Invalid;
 none;
 submit data
261.252 C9 H11 N O6 S c1cc(...
PO4 H:1249;
 Invalid;
 none;
 submit data
94.971 O4 P [O-]P...
FQI H:1257;
 Valid;
 none;
 Kd = 475 uM
161.609 C5 H4 Cl N O S c1cc(...
NAG H:1258;
 Invalid;
 none;
 submit data
221.208 C8 H15 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4AX9 1.9 Å EC: 3.4.21.5 HUMAN THROMBIN COMPLEXED WITH NAPSAGATRAN, RO0466240 HOMO SAPIENS HYDROLASE-HYDROLASE INHIBITOR COMPLEX HYDROLASE HYDROLASE ICOMPLEX
Ref.: DESIGN AND SYNTHESIS OF POTENT AND HIGHLY SELECTIVE INHIBITORS. J.MED.CHEM. V. 37 3889 1994
Members (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 27 families.
1 1D3D Ka = 1240000000 M^-1 BZT C32 H35 Br N2 O2 S c1cc(ccc1c....
2 4UFG - D6J C29 H35 N5 O4 S CC[C@@H](C....
3 5AFZ Kd = 0.16 uM UET C26 H29 N5 O4 S c1ccc(cc1)....
4 4UE7 Kd = 107 uM MRZ C6 H13 N3 [H]/N=C(N)....
5 3BIU - 10U C20 H29 N5 O2 c1cc(ccc1C....
6 4UFF - 6V2 C27 H31 N5 O4 S [H]/N=C(c1....
7 5AHG - Y4L C8 H11 Cl N2 O2 S CN(C)S(=O)....
8 3BIV - 11U C21 H31 N5 O2 [H]/N=C(/c....
9 4AX9 Ki = 0.00027 uM N5N C26 H34 N6 O6 S [H]/N=C(/N....
10 4UEH Kd = 355 uM BEN C7 H8 N2 [H]/N=C(c1....
11 4UFD - S49 C29 H33 N5 O4 S [H]/N=C(/c....
12 2V3O - I26 C24 H33 F N4 O3 [H]/N=C(/c....
13 5AF9 Kd = 1003 uM SJR C13 H12 N2 O2 COc1ccc(cc....
14 4UD9 Kd = 475 uM FQI C5 H4 Cl N O S c1cc(sc1C(....
15 1T4U - 81A C20 H25 N3 O7 S2 [H]/N=C(N)....
16 2R2M Ki = 47.1 nM I50 C19 H21 Cl F3 N5 O2 [H]/N=C(/N....
17 5AFY - WCE C7 H6 Cl N O c1cc(cc(c1....
18 6ZUG ic50 = 12 nM QPW C24 H28 Cl N3 O4 CCCN(C[C@@....
19 1T4V Ki = 0.021 uM 14A C19 H27 Cl N4 O3 C=CCN(C1CC....
20 4UFE - 3ZD C27 H31 N5 O4 S [H]/N=C(c1....
21 4UDW Kd = 0.27 uM N6L C21 H23 Cl2 N3 O2 c1ccc(cc1)....
22 2CF8 Ki = 0.008 uM ESH C26 H31 Cl N4 O [H]/N=C(c1....
23 2CF9 Ki = 0.015 uM 348 C27 H34 N4 O2 [H]/N=C(c1....
24 1VZQ Ki = 36 nM SHY C24 H24 N4 O5 [H]/N=C(c1....
70% Homology Family (112)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 4BAQ Ki = 0.98 nM M4Z C24 H36 N6 O3 [H]/N=C(/c....
2 2C8Z ic50 > 1 mM C2A C7 H8 Cl N c1cc(cc(c1....
3 1C1W - BAH C17 H18 N8 O2 c1cc2c(cc1....
4 4BAH Ki = 2.01 nM MEL C22 H31 N5 O4 c1cc(ccc1C....
5 2C90 ic50 = 330 uM C1M C7 H5 Cl N4 c1cc(ccc1n....
6 6ZUH ic50 = 27 nM N6H C22 H24 Cl N3 O4 CC1(CN(CCO....
7 3SHC Ki = 1.9 uM B01 C20 H23 Cl N4 O2 c1ccc(cc1)....
8 6T3Q Ki = 379 nM M6Q C20 H25 N5 O2 c1ccc(cc1)....
9 3SI3 Ki = 69.3 uM B03 C20 H24 N4 O2 c1ccc(cc1)....
10 4BAM Ki = 1.14 nM MM9 C24 H36 N6 O3 [H]/N=C(/c....
11 4YES Ki = 9.6 nM 45S C19 H23 Cl N4 O2 Cc1ccc([nH....
12 3DUX Ki = 100 nM 64U C21 H30 Cl N3 O2 c1cc(cc(c1....
13 1K22 Ki = 4 nM MEL C22 H31 N5 O4 c1cc(ccc1C....
14 2ZHQ Ki = 0.75 uM 27U C22 H26 N4 O2 [H]/N=C(/c....
15 3HAT - MBN ABN RNG GLY VAL ARG n/a n/a
16 2ZGX Ki = 180 nM 29U C17 H25 N5 O2 [H]/N=C(/c....
17 2ZC9 Ki = 180 nM 22U C21 H24 Cl N3 O2 c1ccc(cc1)....
18 3UTU Ki = 0.012 nM 1TS C32 H34 Cl N7 O6 S [H]/N=C(/c....
19 1G32 Ki = 780 nM R11 C25 H25 N7 [H]/N=C(/c....
20 3F68 Ki = 8.7 uM 91U C23 H32 Cl N3 O3 CC(=O)N[C@....
21 2ZFP Ki = 6.8 uM 19U C16 H22 Cl N3 O2 CC[C@H](C(....
22 1A4W Ki = 1.2 uM QWE C29 H40 N7 O4 S2 CN(C)c1ccc....
23 2ZGB Ki = 0.54 uM 21U C18 H26 Cl N3 O2 CC(C)C[C@H....
24 3SI4 Ki = 132.2 uM B04 C21 H27 N4 O2 C[n+]1cccc....
25 2C8X ic50 = 220 nM C5M C27 H33 Cl N2 O4 S Cc1cc(c(c(....
26 1C5O Ki = 320 uM BAM C7 H9 N2 c1ccc(cc1)....
27 2C8Y - C3M C20 H22 N2 O3 S c1ccc(cc1)....
28 1D4P Ka = 2000000 M^-1 BPP C22 H24 N4 O [H]/N=C(c1....
29 3SHA Ki = 2.6 uM P97 C20 H23 Cl N4 O2 c1ccc(cc1)....
30 6ZUU ic50 = 3900 nM QQN C22 H24 Cl N3 O4 C[C@@H]1CN....
31 2ZNK Ki = 0.02 uM 31U C19 H29 N5 O2 [H]/N=C(/c....
32 3QX5 Ki = 63.5 uM 02P C21 H26 Cl N4 O2 C[n+]1ccc(....
33 4BAK Ki = 1.22 nM M67 C25 H38 N6 O3 [H]/N=C(/c....
34 3P17 Ki = 33.4 uM 99P C20 H24 N4 O2 c1ccc(cc1)....
35 6ZUN ic50 = 10 nM QQ5 C22 H24 Cl N3 O4 C[C@@H]1CN....
36 1GHV Ki = 45 uM 120 C13 H12 N5 O c1cc2c(cc1....
37 1C1U - BAI C16 H14 N6 c1ccc2c(c1....
38 6ZV7 ic50 = 6 nM QQW C24 H28 Cl N3 O5 C[C@@H]1CN....
39 2ZI2 Ki = 5.7 uM 24U C17 H24 N4 O2 [H]/N=C(/c....
40 1QBV Ki = 4100 nM PPX C21 H27 N5 O2 c1ccc(cc1)....
41 3EGK Ki = 22 uM M18 C20 H27 Cl N2 O5 CC(C)(C)OC....
42 1D3P Ka = 24300000 M^-1 BT3 C32 H37 N3 O3 S c1cc(ccc1C....
43 1A2C ic50 = 0.5 uM 34H LEU PRJ OAR n/a n/a
44 6EO9 Ki = 160 nM 2OJ C40 H50 Cl N3 O14 S CC(C)N1CCC....
45 6ZUX ic50 = 4 nM QQE C24 H28 Cl N3 O5 C[C@H]1CN(....
46 3QTV Ki = 22.5 uM 06P C21 H27 N4 O2 C[n+]1ccc(....
47 1AIX - T19 C32 H34 B N3 O6 B([C@H](C(....
48 2ZDA - 32U C22 H28 N5 O2 c1ccc(cc1)....
49 1K21 Ki = 4.2 nM IGN C21 H38 N6 O4 C1CCC(CC1)....
50 4BAN Ki = 2.43 nM M6S C23 H34 N6 O3 [H]/N=C(/c....
51 6ROT Ki = 483.63 nM KDQ C22 H26 Cl N3 O5 S c1ccc(cc1)....
52 6T4A Ki = 140 nM J5K C20 H25 N5 O2 c1ccc(cc1)....
53 1G30 Ki = 140 nM T87 C29 H31 N7 O3 [H]/N=C(/c....
54 6EO8 Ki = 100 nM 2FN C32 H42 Cl N3 O10 S CC(C)N1CCC....
55 1MU6 Ki = 4.2 nM CDA C20 H19 F3 N6 O2 CC1=CN=C(C....
56 1FPC Ki = 0.1 uM 0ZI C25 H39 N6 O3 S NULL
57 6TDT Ki = 1213 nM LXW C26 H28 N4 O2 c1ccc(cc1)....
58 2ZF0 - 51U C22 H27 N3 O2 Cc1cccc(c1....
59 1W7G Ki ~ 13 uM MIU C20 H32 F3 N7 O3 S c1cc(cc(c1....
60 3DHK Ki = 47 nM 23U C27 H28 Cl N3 O2 c1ccc(cc1)....
61 2ZDV - 37U C21 H24 F N3 O2 c1ccc(cc1)....
62 2ZO3 Ki = 0.1 nM 33U C28 H31 N5 O2 [H]/N=C(/c....
63 1NRS - LEU ASP PRO ARG n/a n/a
64 3TU7 Ki = 8.17 nM 0BM C22 H34 N6 O4 S [H]/N=C(N)....
65 6GBW Ki = 3.51 nM EU5 C26 H36 Cl N7 O4 S [H]/N=C(N)....
66 6ZUW ic50 = 0.4 nM QQK C26 H32 Cl N3 O5 CC[C@@H]1C....
67 1KTS Ki = 4.5 nM C24 C27 H29 N7 O3 CCOC(=O)CC....
68 1GHY Ki = 0.008 uM 121 C13 H12 N5 O c1cc(c(nc1....
69 1MU8 Ki = 1 nM CDB C21 H23 F3 N6 O2 Cc1ccnc(c1....
70 1MUE Ki = 2.3 nM CDD C20 H17 Cl F3 N5 O3 c1ccc(c(c1....
71 2C8W ic50 = 3.7 nM C7M C25 H30 Cl N6 O4 S COc1ccc(cc....
72 1O5G Ki = 11 uM CR9 C21 H23 F N4 O2 C[C@H]1CCC....
73 1BCU Kd = 0.53 mM PRL C13 H11 N3 c1cc(cc2c1....
74 3QTO Ki = 74.8 uM 10P C21 H27 N4 O2 C[n+]1cccc....
75 1GHW Ki = 4 uM BMZ C14 H13 N4 O c1ccc(c(c1....
76 1C1V Ki = 0.023 uM BAB C17 H19 N8 c1cc2c(cc1....
77 1TOM Ki = 5 nM MIN C22 H34 N4 O2 CN[C@H](Cc....
78 1KTT ic50 = 1.5 uM C02 C22 H21 N5 O2 S Cn1c2ccc(c....
79 6ZV8 ic50 = 0.7 nM QQT C24 H27 Cl F N3 O5 C[C@H]1CN(....
80 3SV2 Ki = 64 uM P05 C20 H24 N4 O2 c1ccc(cc1)....
81 1O2G Ki = 0.76 uM 696 C21 H17 N3 O c1ccc(cc1)....
82 2C93 ic50 = 12 uM C4M C20 H28 N2 O4 S Cc1cc(c(c(....
83 4LXB ic50 = 7 nM 7R9 C26 H32 Cl F2 N5 O6 S2 CN(C)[C@H]....
84 3QWC Ki = 55.4 uM 98P C21 H26 Cl N4 O2 C[n+]1ccc(....
85 1D3D Ka = 1240000000 M^-1 BZT C32 H35 Br N2 O2 S c1cc(ccc1c....
86 4UFG - D6J C29 H35 N5 O4 S CC[C@@H](C....
87 5AFZ Kd = 0.16 uM UET C26 H29 N5 O4 S c1ccc(cc1)....
88 4UE7 Kd = 107 uM MRZ C6 H13 N3 [H]/N=C(N)....
89 3BIU - 10U C20 H29 N5 O2 c1cc(ccc1C....
90 4UFF - 6V2 C27 H31 N5 O4 S [H]/N=C(c1....
91 5AHG - Y4L C8 H11 Cl N2 O2 S CN(C)S(=O)....
92 3BIV - 11U C21 H31 N5 O2 [H]/N=C(/c....
93 4AX9 Ki = 0.00027 uM N5N C26 H34 N6 O6 S [H]/N=C(/N....
94 4UEH Kd = 355 uM BEN C7 H8 N2 [H]/N=C(c1....
95 4UFD - S49 C29 H33 N5 O4 S [H]/N=C(/c....
96 2V3O - I26 C24 H33 F N4 O3 [H]/N=C(/c....
97 5AF9 Kd = 1003 uM SJR C13 H12 N2 O2 COc1ccc(cc....
98 4UD9 Kd = 475 uM FQI C5 H4 Cl N O S c1cc(sc1C(....
99 1T4U - 81A C20 H25 N3 O7 S2 [H]/N=C(N)....
100 2R2M Ki = 47.1 nM I50 C19 H21 Cl F3 N5 O2 [H]/N=C(/N....
101 5AFY - WCE C7 H6 Cl N O c1cc(cc(c1....
102 6ZUG ic50 = 12 nM QPW C24 H28 Cl N3 O4 CCCN(C[C@@....
103 1T4V Ki = 0.021 uM 14A C19 H27 Cl N4 O3 C=CCN(C1CC....
104 4UFE - 3ZD C27 H31 N5 O4 S [H]/N=C(c1....
105 4UDW Kd = 0.27 uM N6L C21 H23 Cl2 N3 O2 c1ccc(cc1)....
106 2CF8 Ki = 0.008 uM ESH C26 H31 Cl N4 O [H]/N=C(c1....
107 2CF9 Ki = 0.015 uM 348 C27 H34 N4 O2 [H]/N=C(c1....
108 1VZQ Ki = 36 nM SHY C24 H24 N4 O5 [H]/N=C(c1....
109 1C4V Ki = 0.016 nM IH2 C30 H36 N6 O3 [H]/N=C(C1....
110 2V3H - I25 C24 H34 N4 O3 [H]/N=C(/c....
111 2CN0 Ki = 22 nM F25 C24 H27 F3 N4 O c1cc(ccc1C....
112 1OYT Ki = 0.057 uM FSN C23 H24 F N4 O2 c1cc(ccc1C....
50% Homology Family (115)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 4BAQ Ki = 0.98 nM M4Z C24 H36 N6 O3 [H]/N=C(/c....
2 2C8Z ic50 > 1 mM C2A C7 H8 Cl N c1cc(cc(c1....
3 1C1W - BAH C17 H18 N8 O2 c1cc2c(cc1....
4 4BAH Ki = 2.01 nM MEL C22 H31 N5 O4 c1cc(ccc1C....
5 2C90 ic50 = 330 uM C1M C7 H5 Cl N4 c1cc(ccc1n....
6 6ZUH ic50 = 27 nM N6H C22 H24 Cl N3 O4 CC1(CN(CCO....
7 3SHC Ki = 1.9 uM B01 C20 H23 Cl N4 O2 c1ccc(cc1)....
8 6T3Q Ki = 379 nM M6Q C20 H25 N5 O2 c1ccc(cc1)....
9 3SI3 Ki = 69.3 uM B03 C20 H24 N4 O2 c1ccc(cc1)....
10 4BAM Ki = 1.14 nM MM9 C24 H36 N6 O3 [H]/N=C(/c....
11 4YES Ki = 9.6 nM 45S C19 H23 Cl N4 O2 Cc1ccc([nH....
12 3DUX Ki = 100 nM 64U C21 H30 Cl N3 O2 c1cc(cc(c1....
13 1K22 Ki = 4 nM MEL C22 H31 N5 O4 c1cc(ccc1C....
14 2ZHQ Ki = 0.75 uM 27U C22 H26 N4 O2 [H]/N=C(/c....
15 3HAT - MBN ABN RNG GLY VAL ARG n/a n/a
16 2ZGX Ki = 180 nM 29U C17 H25 N5 O2 [H]/N=C(/c....
17 2ZC9 Ki = 180 nM 22U C21 H24 Cl N3 O2 c1ccc(cc1)....
18 3UTU Ki = 0.012 nM 1TS C32 H34 Cl N7 O6 S [H]/N=C(/c....
19 1G32 Ki = 780 nM R11 C25 H25 N7 [H]/N=C(/c....
20 3F68 Ki = 8.7 uM 91U C23 H32 Cl N3 O3 CC(=O)N[C@....
21 2ZFP Ki = 6.8 uM 19U C16 H22 Cl N3 O2 CC[C@H](C(....
22 1A4W Ki = 1.2 uM QWE C29 H40 N7 O4 S2 CN(C)c1ccc....
23 2ZGB Ki = 0.54 uM 21U C18 H26 Cl N3 O2 CC(C)C[C@H....
24 3SI4 Ki = 132.2 uM B04 C21 H27 N4 O2 C[n+]1cccc....
25 2C8X ic50 = 220 nM C5M C27 H33 Cl N2 O4 S Cc1cc(c(c(....
26 1C5O Ki = 320 uM BAM C7 H9 N2 c1ccc(cc1)....
27 2C8Y - C3M C20 H22 N2 O3 S c1ccc(cc1)....
28 1D4P Ka = 2000000 M^-1 BPP C22 H24 N4 O [H]/N=C(c1....
29 3SHA Ki = 2.6 uM P97 C20 H23 Cl N4 O2 c1ccc(cc1)....
30 6ZUU ic50 = 3900 nM QQN C22 H24 Cl N3 O4 C[C@@H]1CN....
31 2ZNK Ki = 0.02 uM 31U C19 H29 N5 O2 [H]/N=C(/c....
32 3QX5 Ki = 63.5 uM 02P C21 H26 Cl N4 O2 C[n+]1ccc(....
33 4BAK Ki = 1.22 nM M67 C25 H38 N6 O3 [H]/N=C(/c....
34 3P17 Ki = 33.4 uM 99P C20 H24 N4 O2 c1ccc(cc1)....
35 6ZUN ic50 = 10 nM QQ5 C22 H24 Cl N3 O4 C[C@@H]1CN....
36 1GHV Ki = 45 uM 120 C13 H12 N5 O c1cc2c(cc1....
37 1C1U - BAI C16 H14 N6 c1ccc2c(c1....
38 6ZV7 ic50 = 6 nM QQW C24 H28 Cl N3 O5 C[C@@H]1CN....
39 2ZI2 Ki = 5.7 uM 24U C17 H24 N4 O2 [H]/N=C(/c....
40 1QBV Ki = 4100 nM PPX C21 H27 N5 O2 c1ccc(cc1)....
41 3EGK Ki = 22 uM M18 C20 H27 Cl N2 O5 CC(C)(C)OC....
42 1D3P Ka = 24300000 M^-1 BT3 C32 H37 N3 O3 S c1cc(ccc1C....
43 1A2C ic50 = 0.5 uM 34H LEU PRJ OAR n/a n/a
44 6EO9 Ki = 160 nM 2OJ C40 H50 Cl N3 O14 S CC(C)N1CCC....
45 6ZUX ic50 = 4 nM QQE C24 H28 Cl N3 O5 C[C@H]1CN(....
46 3QTV Ki = 22.5 uM 06P C21 H27 N4 O2 C[n+]1ccc(....
47 1AIX - T19 C32 H34 B N3 O6 B([C@H](C(....
48 2ZDA - 32U C22 H28 N5 O2 c1ccc(cc1)....
49 1K21 Ki = 4.2 nM IGN C21 H38 N6 O4 C1CCC(CC1)....
50 4BAN Ki = 2.43 nM M6S C23 H34 N6 O3 [H]/N=C(/c....
51 6ROT Ki = 483.63 nM KDQ C22 H26 Cl N3 O5 S c1ccc(cc1)....
52 6T4A Ki = 140 nM J5K C20 H25 N5 O2 c1ccc(cc1)....
53 1G30 Ki = 140 nM T87 C29 H31 N7 O3 [H]/N=C(/c....
54 6EO8 Ki = 100 nM 2FN C32 H42 Cl N3 O10 S CC(C)N1CCC....
55 1MU6 Ki = 4.2 nM CDA C20 H19 F3 N6 O2 CC1=CN=C(C....
56 1FPC Ki = 0.1 uM 0ZI C25 H39 N6 O3 S NULL
57 6TDT Ki = 1213 nM LXW C26 H28 N4 O2 c1ccc(cc1)....
58 2ZF0 - 51U C22 H27 N3 O2 Cc1cccc(c1....
59 1W7G Ki ~ 13 uM MIU C20 H32 F3 N7 O3 S c1cc(cc(c1....
60 3DHK Ki = 47 nM 23U C27 H28 Cl N3 O2 c1ccc(cc1)....
61 2ZDV - 37U C21 H24 F N3 O2 c1ccc(cc1)....
62 2ZO3 Ki = 0.1 nM 33U C28 H31 N5 O2 [H]/N=C(/c....
63 1NRS - LEU ASP PRO ARG n/a n/a
64 3TU7 Ki = 8.17 nM 0BM C22 H34 N6 O4 S [H]/N=C(N)....
65 6GBW Ki = 3.51 nM EU5 C26 H36 Cl N7 O4 S [H]/N=C(N)....
66 6ZUW ic50 = 0.4 nM QQK C26 H32 Cl N3 O5 CC[C@@H]1C....
67 1KTS Ki = 4.5 nM C24 C27 H29 N7 O3 CCOC(=O)CC....
68 1GHY Ki = 0.008 uM 121 C13 H12 N5 O c1cc(c(nc1....
69 1MU8 Ki = 1 nM CDB C21 H23 F3 N6 O2 Cc1ccnc(c1....
70 1MUE Ki = 2.3 nM CDD C20 H17 Cl F3 N5 O3 c1ccc(c(c1....
71 2C8W ic50 = 3.7 nM C7M C25 H30 Cl N6 O4 S COc1ccc(cc....
72 1O5G Ki = 11 uM CR9 C21 H23 F N4 O2 C[C@H]1CCC....
73 1BCU Kd = 0.53 mM PRL C13 H11 N3 c1cc(cc2c1....
74 3QTO Ki = 74.8 uM 10P C21 H27 N4 O2 C[n+]1cccc....
75 1GHW Ki = 4 uM BMZ C14 H13 N4 O c1ccc(c(c1....
76 1C1V Ki = 0.023 uM BAB C17 H19 N8 c1cc2c(cc1....
77 1TOM Ki = 5 nM MIN C22 H34 N4 O2 CN[C@H](Cc....
78 1KTT ic50 = 1.5 uM C02 C22 H21 N5 O2 S Cn1c2ccc(c....
79 6ZV8 ic50 = 0.7 nM QQT C24 H27 Cl F N3 O5 C[C@H]1CN(....
80 3SV2 Ki = 64 uM P05 C20 H24 N4 O2 c1ccc(cc1)....
81 1O2G Ki = 0.76 uM 696 C21 H17 N3 O c1ccc(cc1)....
82 2C93 ic50 = 12 uM C4M C20 H28 N2 O4 S Cc1cc(c(c(....
83 4LXB ic50 = 7 nM 7R9 C26 H32 Cl F2 N5 O6 S2 CN(C)[C@H]....
84 3QWC Ki = 55.4 uM 98P C21 H26 Cl N4 O2 C[n+]1ccc(....
85 1D3D Ka = 1240000000 M^-1 BZT C32 H35 Br N2 O2 S c1cc(ccc1c....
86 4UFG - D6J C29 H35 N5 O4 S CC[C@@H](C....
87 5AFZ Kd = 0.16 uM UET C26 H29 N5 O4 S c1ccc(cc1)....
88 4UE7 Kd = 107 uM MRZ C6 H13 N3 [H]/N=C(N)....
89 3BIU - 10U C20 H29 N5 O2 c1cc(ccc1C....
90 4UFF - 6V2 C27 H31 N5 O4 S [H]/N=C(c1....
91 5AHG - Y4L C8 H11 Cl N2 O2 S CN(C)S(=O)....
92 3BIV - 11U C21 H31 N5 O2 [H]/N=C(/c....
93 4AX9 Ki = 0.00027 uM N5N C26 H34 N6 O6 S [H]/N=C(/N....
94 4UEH Kd = 355 uM BEN C7 H8 N2 [H]/N=C(c1....
95 4UFD - S49 C29 H33 N5 O4 S [H]/N=C(/c....
96 2V3O - I26 C24 H33 F N4 O3 [H]/N=C(/c....
97 5AF9 Kd = 1003 uM SJR C13 H12 N2 O2 COc1ccc(cc....
98 4UD9 Kd = 475 uM FQI C5 H4 Cl N O S c1cc(sc1C(....
99 1T4U - 81A C20 H25 N3 O7 S2 [H]/N=C(N)....
100 2R2M Ki = 47.1 nM I50 C19 H21 Cl F3 N5 O2 [H]/N=C(/N....
101 5AFY - WCE C7 H6 Cl N O c1cc(cc(c1....
102 6ZUG ic50 = 12 nM QPW C24 H28 Cl N3 O4 CCCN(C[C@@....
103 1T4V Ki = 0.021 uM 14A C19 H27 Cl N4 O3 C=CCN(C1CC....
104 4UFE - 3ZD C27 H31 N5 O4 S [H]/N=C(c1....
105 4UDW Kd = 0.27 uM N6L C21 H23 Cl2 N3 O2 c1ccc(cc1)....
106 2CF8 Ki = 0.008 uM ESH C26 H31 Cl N4 O [H]/N=C(c1....
107 2CF9 Ki = 0.015 uM 348 C27 H34 N4 O2 [H]/N=C(c1....
108 1VZQ Ki = 36 nM SHY C24 H24 N4 O5 [H]/N=C(c1....
109 2HGT - DPN PRO ARG n/a n/a
110 3VXE - DPN PRO ARG n/a n/a
111 1C4V Ki = 0.016 nM IH2 C30 H36 N6 O3 [H]/N=C(C1....
112 2V3H - I25 C24 H34 N4 O3 [H]/N=C(/c....
113 2CN0 Ki = 22 nM F25 C24 H27 F3 N4 O c1cc(ccc1C....
114 1OYT Ki = 0.057 uM FSN C23 H24 F N4 O2 c1cc(ccc1C....
115 1TMT - DPN PRO ARG n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FQI; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 FQI 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: FQI; Similar ligands found: 1056
No: Ligand Similarity coefficient
1 14J 0.9964
2 NPO 0.9739
3 PHB 0.9733
4 HBD 0.9714
5 PAB 0.9714
6 BP9 0.9692
7 OAA 0.9690
8 6PC 0.9680
9 Z82 0.9675
10 BEN 0.9669
11 174 0.9667
12 MLT 0.9663
13 4MA 0.9656
14 BEZ 0.9654
15 1Y6 0.9648
16 NCA 0.9641
17 BAM 0.9634
18 PBC 0.9632
19 JAE 0.9620
20 PBZ 0.9613
21 NBZ 0.9591
22 YCP 0.9588
23 P72 0.9583
24 C21 0.9583
25 NIO 0.9578
26 826 0.9573
27 AC6 0.9571
28 UNU 0.9569
29 11S 0.9565
30 PZA 0.9562
31 NTN 0.9555
32 AC0 0.9550
33 FK1 0.9545
34 VGL 0.9538
35 PRO 0.9532
36 TP5 0.9532
37 GAB 0.9525
38 BNS 0.9521
39 XBT 0.9520
40 ES9 0.9519
41 TZC 0.9518
42 H4N 0.9516
43 SS2 0.9516
44 WCE 0.9514
45 SS1 0.9502
46 8GC 0.9502
47 F60 0.9498
48 QSC 0.9497
49 FBJ 0.9496
50 4CS 0.9490
51 HX2 0.9483
52 5MB 0.9480
53 GUA 0.9480
54 6AI 0.9476
55 OVV 0.9475
56 3AB 0.9467
57 14O 0.9462
58 8NY 0.9460
59 1SA 0.9453
60 5H1 0.9453
61 ASP 0.9451
62 2PC 0.9449
63 RSO 0.9449
64 NMJ 0.9448
65 LMR 0.9447
66 BZX 0.9447
67 5MI 0.9446
68 53C 0.9446
69 OHG 0.9445
70 7WG 0.9443
71 SW7 0.9441
72 3NT 0.9441
73 265 0.9441
74 PNZ 0.9440
75 PKU 0.9436
76 2RH 0.9428
77 SMV 0.9428
78 DYA 0.9428
79 BE7 0.9425
80 PYC 0.9424
81 2K4 0.9422
82 E5X 0.9422
83 BRT 0.9422
84 JBN 0.9422
85 PCA 0.9421
86 3HB 0.9420
87 717 0.9416
88 4FS 0.9410
89 8K2 0.9408
90 FOA 0.9406
91 NIZ 0.9405
92 4BZ 0.9404
93 TLA 0.9404
94 1DV 0.9402
95 HBA 0.9399
96 H42 0.9398
97 49F 0.9394
98 JB5 0.9392
99 BHO 0.9391
100 SIN 0.9388
101 TEO 0.9383
102 ZBT 0.9382
103 SRT 0.9381
104 IT2 0.9381
105 54D 0.9379
106 2AQ 0.9378
107 273 0.9378
108 GOJ 0.9376
109 BZ3 0.9375
110 3BZ 0.9372
111 60P 0.9368
112 ANN 0.9367
113 ISZ 0.9366
114 HIO 0.9364
115 ES5 0.9364
116 M58 0.9357
117 03V 0.9354
118 TZL 0.9352
119 5HN 0.9349
120 TH7 0.9345
121 F9P 0.9341
122 1PT 0.9338
123 FEH 0.9337
124 JZ7 0.9337
125 UGC 0.9334
126 FA0 0.9333
127 FUM 0.9332
128 4M0 0.9330
129 COU 0.9330
130 4JL 0.9321
131 1P7 0.9319
132 4VP 0.9319
133 40E 0.9319
134 PRS 0.9318
135 5OB 0.9313
136 MAE 0.9311
137 UY7 0.9310
138 5XC 0.9310
139 5CU 0.9308
140 4JU 0.9308
141 FBA 0.9306
142 BHA 0.9305
143 OCH 0.9305
144 1P3 0.9304
145 AMC 0.9304
146 7N0 0.9304
147 MR1 0.9303
148 BPN 0.9303
149 OK7 0.9302
150 AHR 0.9300
151 RHU 0.9299
152 HY1 0.9298
153 SAL 0.9297
154 3OC 0.9294
155 DOB 0.9294
156 CFI 0.9293
157 MRZ 0.9286
158 TIU 0.9286
159 AMH 0.9285
160 JLZ 0.9283
161 HCS 0.9282
162 COI 0.9281
163 ABV 0.9281
164 AX7 0.9277
165 HYP 0.9273
166 NMG 0.9272
167 GLY GLY 0.9271
168 JZ5 0.9271
169 BE2 0.9270
170 4SV 0.9267
171 69O 0.9266
172 FBM 0.9265
173 OVM 0.9263
174 HSE 0.9261
175 ROR 0.9259
176 1DW 0.9259
177 MED 0.9258
178 4JM 0.9253
179 F9Y 0.9253
180 TPA 0.9253
181 TH0 0.9253
182 5NU 0.9249
183 JAB 0.9249
184 1P8 0.9248
185 4NC 0.9248
186 5B1 0.9247
187 3F0 0.9246
188 5WV 0.9245
189 3MB 0.9244
190 4NM 0.9242
191 2MH 0.9242
192 XQ0 0.9241
193 5JC 0.9240
194 IHG 0.9239
195 ES2 0.9238
196 KMT 0.9236
197 TSU 0.9233
198 K2T 0.9233
199 CLW 0.9230
200 VGD 0.9230
201 2CO 0.9229
202 GBD 0.9229
203 DE5 0.9228
204 3U4 0.9227
205 HMH 0.9225
206 3HA 0.9224
207 P9P 0.9224
208 XYL 0.9223
209 RB5 0.9223
210 4SD 0.9218
211 HDH 0.9217
212 FAN 0.9217
213 282 0.9217
214 ABN 0.9216
215 RM1 0.9215
216 GLU 0.9215
217 FBB 0.9214
218 OTR 0.9213
219 ASN 0.9212
220 SYN 0.9212
221 DHB 0.9212
222 DEN 0.9211
223 BML 0.9210
224 DCL 0.9209
225 FCR 0.9209
226 4P5 0.9207
227 36R 0.9206
228 I1E 0.9205
229 259 0.9204
230 C2B 0.9204
231 AKG 0.9204
232 2BG 0.9204
233 5AC 0.9204
234 3HM 0.9203
235 TFB 0.9202
236 BSX 0.9201
237 VNJ 0.9199
238 PY7 0.9199
239 6M9 0.9197
240 AL0 0.9195
241 GAG 0.9195
242 DBH 0.9195
243 4A3 0.9193
244 6M4 0.9192
245 FPI 0.9192
246 2MI 0.9191
247 KOJ 0.9191
248 GJZ 0.9190
249 7MU 0.9189
250 ES6 0.9188
251 OW4 0.9187
252 DTL 0.9186
253 HBX 0.9185
254 DMD 0.9184
255 LEU 0.9182
256 1DU 0.9181
257 XM0 0.9179
258 HY3 0.9179
259 I3A 0.9178
260 4JT 0.9177
261 IPB 0.9177
262 JA8 0.9175
263 INO 0.9175
264 ET2 0.9174
265 XIY 0.9174
266 OVP 0.9174
267 4J8 0.9171
268 VKC 0.9170
269 CXF 0.9170
270 IND 0.9168
271 AAS 0.9166
272 GYE 0.9165
273 QY9 0.9165
274 JKE 0.9164
275 NNO 0.9163
276 QWN 0.9163
277 MXN 0.9162
278 IHB 0.9162
279 270 0.9161
280 MZW 0.9160
281 PHU 0.9159
282 SAN 0.9157
283 3M0 0.9157
284 H95 0.9156
285 LZ1 0.9156
286 PYF 0.9155
287 IDM 0.9154
288 FHB 0.9154
289 MWJ 0.9153
290 7WV 0.9152
291 PG3 0.9152
292 1M2 0.9152
293 MZG 0.9152
294 BZI 0.9151
295 IXW 0.9149
296 MET 0.9146
297 QDK 0.9146
298 PMB 0.9146
299 RSF 0.9146
300 93K 0.9145
301 8H8 0.9144
302 QUZ 0.9143
303 MYJ 0.9142
304 QSB 0.9141
305 IP0 0.9141
306 HIS 0.9140
307 MCT 0.9139
308 173 0.9139
309 0RW 0.9138
310 5VM 0.9137
311 2HG 0.9135
312 PZM 0.9133
313 J9T 0.9133
314 AHB 0.9132
315 LDU 0.9132
316 XRG 0.9131
317 BZF 0.9130
318 4JP 0.9130
319 4XR 0.9128
320 2YU 0.9127
321 RNT 0.9126
322 HTX 0.9126
323 MRY 0.9126
324 4WL 0.9126
325 Y8I 0.9126
326 HQE 0.9125
327 OKG 0.9124
328 LG4 0.9124
329 HHA 0.9123
330 1MC 0.9123
331 EHM 0.9122
332 XX2 0.9121
333 H8N 0.9121
334 PEA 0.9121
335 OXQ 0.9118
336 2HO 0.9117
337 3DO 0.9116
338 DHR 0.9116
339 2AL 0.9116
340 TYL 0.9115
341 AEF 0.9115
342 PYJ 0.9115
343 1WD 0.9114
344 JBK 0.9114
345 MUC 0.9113
346 APY 0.9113
347 RBL 0.9111
348 FB2 0.9110
349 3ID 0.9109
350 EDG 0.9107
351 9YL 0.9107
352 4CH 0.9107
353 HDA 0.9107
354 ILE 0.9106
355 T2C 0.9106
356 0CT 0.9106
357 CHB 0.9106
358 B24 0.9104
359 27Y 0.9104
360 8ZE 0.9102
361 URP 0.9102
362 F05 0.9102
363 NPY 0.9101
364 8WO 0.9100
365 9TW 0.9099
366 PXY 0.9099
367 THE 0.9098
368 7W4 0.9097
369 1DJ 0.9097
370 PCR 0.9096
371 MLA 0.9094
372 S2G 0.9093
373 9CL 0.9092
374 K34 0.9091
375 5MH 0.9090
376 KKN 0.9089
377 NBE 0.9088
378 JBE 0.9088
379 4FA 0.9087
380 CYS 0.9087
381 MLI 0.9086
382 IDH 0.9085
383 PLQ 0.9085
384 1AB 0.9084
385 QXW 0.9084
386 DAS 0.9084
387 6NA 0.9083
388 ISN 0.9083
389 GVH 0.9082
390 JZ9 0.9081
391 1KA 0.9081
392 25R 0.9080
393 67N 0.9076
394 2CK 0.9074
395 MPI 0.9074
396 BR9 0.9073
397 SN4 0.9071
398 5UC 0.9070
399 M4T 0.9070
400 IUR 0.9070
401 MWM 0.9070
402 51R 0.9069
403 FBS 0.9068
404 ES7 0.9068
405 HT4 0.9068
406 4HS 0.9065
407 J1Z 0.9064
408 4HO 0.9063
409 XBZ 0.9063
410 R2B 0.9062
411 NSP 0.9062
412 SD4 0.9061
413 HX3 0.9061
414 9EW 0.9060
415 HSM 0.9059
416 PZI 0.9059
417 LCN 0.9057
418 4MV 0.9056
419 CSS 0.9054
420 069 0.9054
421 0R1 0.9054
422 4CL 0.9054
423 2CQ 0.9052
424 ODO 0.9051
425 13P 0.9051
426 TLD 0.9051
427 4JJ 0.9050
428 G3P 0.9045
429 4YO 0.9045
430 G3H 0.9045
431 GLC 0.9044
432 F4Z 0.9043
433 HSO 0.9042
434 FYU 0.9042
435 N2I 0.9042
436 CRN 0.9042
437 P2D 0.9041
438 2HQ 0.9041
439 XUL 0.9040
440 HMU 0.9039
441 RNS 0.9038
442 SHF 0.9038
443 SHA 0.9038
444 TDR 0.9038
445 FE DB1 0.9037
446 URF 0.9037
447 271 0.9037
448 7HQ 0.9036
449 NOY 0.9036
450 268 0.9036
451 PEP 0.9036
452 24B 0.9034
453 M3H 0.9032
454 OGA 0.9032
455 3SL 0.9031
456 IOL 0.9031
457 9X7 0.9029
458 4JN 0.9029
459 PIY 0.9028
460 ITN 0.9028
461 NOJ 0.9028
462 PEL 0.9027
463 NF3 0.9026
464 M1A 0.9026
465 23W 0.9026
466 C2A 0.9026
467 BGC 0.9026
468 DAV 0.9024
469 0HO 0.9024
470 YH7 0.9024
471 PYD 0.9023
472 0TU 0.9022
473 2KT 0.9022
474 4ZE 0.9021
475 43M 0.9020
476 1MR 0.9019
477 IFL 0.9018
478 AAE 0.9018
479 DMG 0.9018
480 LEA 0.9017
481 4JO 0.9016
482 GLN 0.9015
483 3A9 0.9015
484 FPN 0.9015
485 TC7 0.9015
486 ABU 0.9014
487 4ZA 0.9013
488 PG0 0.9012
489 BOA 0.9012
490 MQN 0.9011
491 GLY ALA 0.9010
492 F81 0.9008
493 3SK 0.9008
494 MAK 0.9007
495 3PY 0.9007
496 7B4 0.9006
497 HC4 0.9006
498 FBW 0.9005
499 KDV 0.9005
500 EOU 0.9004
501 DA1 0.9003
502 JZ2 0.9003
503 LT2 0.9002
504 2A9 0.9002
505 1DQ 0.9001
506 SVN 0.9001
507 AMS 0.9000
508 2FY 0.9000
509 MNN 0.8999
510 6GU 0.8999
511 XCZ 0.8995
512 5GU 0.8995
513 TM7 0.8995
514 ASO 0.8992
515 XAN 0.8992
516 PAC 0.8990
517 2AS 0.8990
518 HVQ 0.8988
519 SKA 0.8987
520 G2F 0.8986
521 ZZT 0.8985
522 9DG 0.8985
523 BCP 0.8984
524 L3Q 0.8980
525 DGN 0.8979
526 FPY 0.8979
527 ORN 0.8978
528 TAR 0.8978
529 XYP 0.8978
530 2AC 0.8977
531 42A 0.8977
532 DFB 0.8977
533 1CO 0.8976
534 CRS 0.8976
535 2IT 0.8974
536 GGL 0.8974
537 DHI 0.8973
538 C5J 0.8973
539 0CU 0.8972
540 KMH 0.8971
541 WBU 0.8971
542 5QY 0.8971
543 4JQ 0.8971
544 23A 0.8971
545 NLE 0.8970
546 275 0.8969
547 XYD 0.8969
548 2F6 0.8968
549 PEQ 0.8968
550 PRI 0.8968
551 0V5 0.8968
552 34A 0.8968
553 3PF 0.8968
554 GTQ 0.8967
555 150 0.8967
556 DTU 0.8964
557 KJU 0.8964
558 PIM 0.8963
559 2FT 0.8963
560 6NT 0.8962
561 2MP 0.8960
562 IVA 0.8960
563 KIV 0.8960
564 LXC 0.8960
565 ACA 0.8960
566 KUF 0.8960
567 LZM 0.8960
568 HH5 0.8959
569 BDP 0.8958
570 OXZ 0.8958
571 RBJ 0.8958
572 L99 0.8957
573 25T 0.8956
574 YRL 0.8954
575 0JD 0.8954
576 0HN 0.8952
577 3DM 0.8952
578 TTL 0.8951
579 GUN 0.8951
580 1DH 0.8950
581 3HL 0.8948
582 RJY 0.8947
583 IFP 0.8946
584 J9Q 0.8945
585 AZA 0.8945
586 A1U 0.8942
587 M6W 0.8940
588 RCO 0.8940
589 GP9 0.8939
590 1XM 0.8939
591 CTL 0.8936
592 HGQ 0.8936
593 4ZC 0.8936
594 DGJ 0.8935
595 4HM 0.8935
596 A2F 0.8934
597 G3E 0.8933
598 HLR 0.8932
599 SJ5 0.8931
600 MS9 0.8930
601 4AA 0.8930
602 284 0.8929
603 FP1 0.8927
604 258 0.8927
605 NK 0.8925
606 FUD 0.8925
607 ICP 0.8924
608 JZ3 0.8924
609 CWS 0.8924
610 1WG 0.8923
611 K6V 0.8921
612 HL5 0.8920
613 SNE 0.8920
614 PXL 0.8920
615 BVC 0.8920
616 6AP 0.8919
617 MEV 0.8918
618 1F1 0.8918
619 DHS 0.8918
620 XLS 0.8917
621 IFM 0.8917
622 D48 0.8917
623 FBV 0.8916
624 ASC 0.8913
625 DX4 0.8913
626 CWM 0.8913
627 5NI 0.8912
628 ADZ 0.8912
629 45C 0.8912
630 LNR 0.8911
631 5XB 0.8911
632 2HU 0.8911
633 FW5 0.8908
634 JAW 0.8908
635 LLQ 0.8908
636 NVI 0.8907
637 45L 0.8905
638 7W1 0.8904
639 54G 0.8903
640 0R0 0.8903
641 PSE 0.8902
642 RIB 0.8901
643 IGA 0.8901
644 Q07 0.8899
645 I3E 0.8899
646 2ZM 0.8898
647 MZ0 0.8898
648 HQJ 0.8896
649 FOC 0.8895
650 ABI 0.8895
651 86J 0.8894
652 AZG 0.8892
653 HQT 0.8892
654 6NI 0.8891
655 SX1 0.8891
656 M6N 0.8891
657 WOT 0.8890
658 DQY 0.8888
659 141 0.8888
660 R8A 0.8887
661 1GP 0.8887
662 J5I 0.8886
663 CP 0.8885
664 BNF 0.8884
665 3FH 0.8884
666 MEW 0.8884
667 HEW 0.8884
668 SYV 0.8883
669 3NY 0.8883
670 X0V 0.8882
671 JDN 0.8881
672 5RG 0.8881
673 GZ3 0.8880
674 PGA 0.8880
675 R67 0.8878
676 5M0 0.8876
677 6CS 0.8876
678 TGX 0.8876
679 TZE 0.8875
680 PAF 0.8874
681 PGH 0.8874
682 SME 0.8872
683 4FH 0.8872
684 449 0.8871
685 P92 0.8870
686 3BU 0.8870
687 B3R 0.8869
688 SPV 0.8867
689 8OZ 0.8867
690 RMN 0.8866
691 SSN 0.8864
692 ZXD 0.8864
693 HIU 0.8864
694 NXA 0.8861
695 SER 0.8860
696 IQ0 0.8856
697 URS 0.8856
698 EKZ 0.8856
699 2EC 0.8856
700 M3T 0.8856
701 QMP 0.8855
702 M5K 0.8855
703 12Q 0.8855
704 XAZ 0.8854
705 3CH 0.8854
706 EUG 0.8853
707 9R5 0.8849
708 9ON 0.8847
709 AG2 0.8847
710 9X6 0.8845
711 Q88 0.8845
712 SEP 0.8843
713 LDP 0.8843
714 AOS 0.8842
715 MLM 0.8842
716 94W 0.8842
717 HHH 0.8842
718 M4S 0.8838
719 IOM 0.8838
720 AZF 0.8836
721 SMN 0.8835
722 AJ2 0.8835
723 MSR 0.8834
724 BHH 0.8833
725 9TZ 0.8833
726 4H2 0.8833
727 15E 0.8833
728 97T 0.8831
729 CWJ 0.8830
730 S0H 0.8829
731 X1S 0.8828
732 0TR 0.8827
733 FDB 0.8827
734 5RN 0.8827
735 BVF 0.8827
736 M2H 0.8825
737 MNM 0.8825
738 FB1 0.8825
739 3HG 0.8824
740 SE2 0.8823
741 1SH 0.8822
742 ICF 0.8821
743 SPA 0.8821
744 264 0.8821
745 DOR 0.8821
746 CPZ 0.8821
747 2LP 0.8821
748 3PG 0.8820
749 PBA 0.8820
750 TSS 0.8820
751 C2N 0.8818
752 CFP 0.8817
753 K5W 0.8817
754 GZL 0.8816
755 5MK 0.8814
756 QSH 0.8812
757 KG7 0.8812
758 PAH 0.8811
759 NDH 0.8811
760 JYD 0.8811
761 QWW 0.8809
762 7CZ 0.8809
763 AZ8 0.8808
764 4JC 0.8808
765 NYL 0.8806
766 CEE 0.8806
767 CMS 0.8806
768 6M1 0.8805
769 SOE 0.8805
770 2EZ 0.8805
771 4VY 0.8804
772 SVD 0.8804
773 GRO 0.8803
774 ES0 0.8802
775 2D0 0.8801
776 6RQ 0.8799
777 8WT 0.8798
778 HPA 0.8798
779 M2K 0.8796
780 DGL 0.8795
781 DS0 0.8794
782 KYD 0.8793
783 MRW 0.8792
784 AQO 0.8792
785 286 0.8791
786 IV2 0.8790
787 ADE 0.8790
788 DFU 0.8789
789 FUL 0.8787
790 LG5 0.8787
791 4HC 0.8785
792 ORO 0.8782
793 3Z8 0.8781
794 EA1 0.8780
795 5JQ 0.8779
796 3V4 0.8779
797 AGK 0.8779
798 GXY 0.8779
799 VAL 0.8779
800 5QX 0.8778
801 URA 0.8778
802 51F 0.8777
803 PD2 0.8776
804 Q24 0.8775
805 DIN 0.8775
806 3Z7 0.8775
807 M45 0.8774
808 KTA 0.8774
809 MEQ 0.8773
810 IPU 0.8773
811 N6C 0.8772
812 IZC 0.8772
813 261 0.8770
814 CYT 0.8770
815 V55 0.8769
816 H3M 0.8769
817 BUB 0.8769
818 290 0.8768
819 SNO 0.8768
820 SGL 0.8766
821 BVG 0.8765
822 RNO 0.8764
823 82I 0.8764
824 TZF 0.8763
825 2DR 0.8762
826 J9N 0.8762
827 3HR 0.8761
828 J6W 0.8761
829 LPK 0.8761
830 24W 0.8761
831 R9S 0.8760
832 3QM 0.8759
833 A7W 0.8759
834 SNU 0.8758
835 1SQ 0.8758
836 4M4 0.8756
837 A8C 0.8755
838 10L 0.8755
839 3XX 0.8754
840 1SP 0.8753
841 BZ2 0.8752
842 LG3 0.8752
843 5SG 0.8751
844 KT7 0.8751
845 DSN 0.8751
846 TAG 0.8750
847 0P6 0.8750
848 3S5 0.8749
849 PE0 0.8749
850 MAH 0.8748
851 ICO 0.8748
852 CEJ 0.8747
853 HHQ 0.8746
854 GLL 0.8745
855 SKM 0.8742
856 7VD 0.8742
857 GAL 0.8741
858 HPS 0.8741
859 GRE 0.8741
860 8EW 0.8740
861 GIF 0.8740
862 4YS 0.8739
863 6F0 0.8737
864 OXC 0.8737
865 TB6 0.8736
866 280 0.8734
867 A09 0.8734
868 ABE 0.8733
869 4SX 0.8732
870 1LQ 0.8732
871 D1X 0.8731
872 ABA 0.8731
873 F31 0.8731
874 1NP 0.8730
875 AW5 0.8729
876 XQG 0.8729
877 24T 0.8729
878 LYS 0.8728
879 R20 0.8727
880 F0J 0.8727
881 RIP 0.8726
882 DHK 0.8726
883 6MP 0.8726
884 BP1 0.8723
885 F4E 0.8723
886 N5J 0.8723
887 OW7 0.8722
888 QX2 0.8722
889 4Z4 0.8721
890 75K 0.8721
891 5Q0 0.8721
892 PDC 0.8721
893 DPF 0.8720
894 LTL 0.8720
895 ES1 0.8719
896 G2H 0.8718
897 R8S 0.8718
898 PAE 0.8716
899 URC 0.8715
900 FGZ 0.8714
901 5IQ 0.8713
902 P3K 0.8713
903 DGY 0.8712
904 DIU 0.8712
905 ODV 0.8712
906 DA4 0.8711
907 ICB 0.8711
908 E7Z 0.8708
909 RD4 0.8707
910 B57 0.8707
911 A20 0.8705
912 O8Y 0.8703
913 CIG 0.8703
914 T6C 0.8703
915 3ZQ 0.8702
916 ECE 0.8698
917 FK8 0.8696
918 THR 0.8696
919 XYS 0.8695
920 HQY 0.8694
921 H76 0.8693
922 7WA 0.8692
923 JZ1 0.8692
924 A13 0.8692
925 JPZ 0.8690
926 MWP 0.8690
927 CXL 0.8690
928 GVG 0.8688
929 ES4 0.8686
930 DBX 0.8684
931 OPE 0.8684
932 7VP 0.8683
933 BTY 0.8683
934 TMZ 0.8683
935 FUC 0.8682
936 B53 0.8681
937 26D 0.8680
938 FLA 0.8679
939 VNL 0.8679
940 1LN 0.8677
941 3YP 0.8675
942 DIE 0.8673
943 AC5 0.8673
944 8CM 0.8670
945 8GF 0.8668
946 JBH 0.8667
947 0MK 0.8666
948 A29 0.8666
949 36Y 0.8666
950 PYG 0.8666
951 34D 0.8663
952 G4D 0.8661
953 25W 0.8660
954 E7S 0.8660
955 JZ4 0.8657
956 SWA 0.8656
957 L5V 0.8656
958 MPD 0.8655
959 O72 0.8655
960 52C 0.8655
961 3PP 0.8654
962 5JL 0.8654
963 TMT 0.8649
964 GDE 0.8648
965 9FL 0.8648
966 FA1 0.8647
967 ESP 0.8644
968 DAL DAL 0.8643
969 1LM 0.8643
970 AT3 0.8641
971 9DA 0.8640
972 SOR 0.8640
973 2ZV 0.8640
974 92K 0.8639
975 JFJ 0.8639
976 HH8 0.8638
977 IWT 0.8638
978 HA5 0.8637
979 4XH 0.8636
980 4NB 0.8636
981 GCS 0.8636
982 NCT 0.8635
983 GLO 0.8631
984 PM6 0.8631
985 6FZ 0.8631
986 9HX 0.8627
987 PSJ 0.8626
988 PQK 0.8626
989 9FE 0.8626
990 PH3 0.8625
991 L14 0.8625
992 R9Y 0.8624
993 EDR 0.8622
994 EQT 0.8621
995 7HP 0.8621
996 HX4 0.8619
997 HAI 0.8618
998 0W8 0.8618
999 152 0.8618
1000 KJY 0.8617
1001 E60 0.8617
1002 I4B 0.8615
1003 15N 0.8615
1004 PLU 0.8614
1005 B55 0.8613
1006 SDD 0.8612
1007 G5V 0.8612
1008 9TY 0.8611
1009 CYH 0.8610
1010 AKB 0.8609
1011 HYN 0.8608
1012 N8Y 0.8608
1013 3R6 0.8607
1014 C2U 0.8607
1015 4HP 0.8606
1016 SWD 0.8606
1017 GXE 0.8604
1018 CAQ 0.8603
1019 9CA 0.8603
1020 EN1 0.8601
1021 PUT 0.8601
1022 AJV 0.8601
1023 HJP 0.8600
1024 EYK 0.8594
1025 8TX 0.8593
1026 ESX 0.8592
1027 G3F 0.8589
1028 HCI 0.8588
1029 285 0.8583
1030 BTE 0.8578
1031 PE9 0.8577
1032 FOT 0.8576
1033 XHP 0.8576
1034 XIX 0.8572
1035 ARB 0.8570
1036 2IM 0.8569
1037 E1T 0.8569
1038 V1L 0.8567
1039 MBN 0.8567
1040 IPH 0.8567
1041 KBB 0.8562
1042 KBZ 0.8561
1043 4XX 0.8560
1044 SRO 0.8559
1045 DEE 0.8552
1046 44W 0.8551
1047 DUC 0.8548
1048 OTW 0.8548
1049 KP6 0.8544
1050 GTR 0.8543
1051 0OC 0.8532
1052 2PG 0.8530
1053 23J 0.8526
1054 OHP 0.8525
1055 CIZ 0.8525
1056 MAN 0.8518
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4AX9; Ligand: N5N; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 4ax9.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 1OSS BEN 47.0852
2 1FIW PBZ 49.4163
3 1PQ7 ARG 49.5536
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