Receptor
PDB id Resolution Class Description Source Keywords
2c90 2.25 Å EC: 3.4.21.5 THROMBIN INHIBITORS HOMO SAPIENS PROTEASE BLOOD COAGULATION ACUTE PHASE GAMMA-CARBOXYGLUTAGLYCOPROTEIN KRINGLE SERINE PROTEASE ZYMOGEN HYDROLASE-INHIBITOR COMPLEX
Ref.: APPLICATION OF FRAGMENT SCREENING AND FRAGMENT LINK THE DISCOVERY OF NOVEL THROMBIN INHIBITORS J.MED.CHEM. V. 49 1346 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
C1M B:1250;
 Valid;
 none;
 ic50 = 330 uM
180.594 C7 H5 Cl N4 c1cc(...
DMS B:1248;
 Invalid;
 none;
 submit data
78.133 C2 H6 O S CS(=O...
NA B:1249;
 Part of Protein;
 none;
 submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3UTU 1.55 Å EC: 3.4.21.5 HIGH AFFINITY INHIBITOR OF HUMAN THROMBIN HOMO SAPIENS SERINE PROTEASE BLOOD CLOTTING FIBRINOPEPTIDE A HYDROLASEHYDROLASE INHIBITOR COMPLEX
Ref.: BEYOND HEPARINIZATION: DESIGN OF HIGHLY POTENT THRO INHIBITORS SUITABLE FOR SURFACE COUPLING CHEMMEDCHEM V. 7 1965 2012
Members (84)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 27 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(....
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: C1M; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 C1M 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: C1M; Similar ligands found: 629
No: Ligand Similarity coefficient
1 CPZ 1.0000
2 MSR 1.0000
3 SNU 1.0000
4 TZF 0.9998
5 36Y 0.9968
6 PIM 0.9756
7 PIY 0.9741
8 A5E 0.9686
9 F4K 0.9640
10 TYL 0.9601
11 KTJ 0.9589
12 BNL 0.9584
13 2QC 0.9583
14 BZ2 0.9561
15 5LA 0.9551
16 J9Q 0.9542
17 HNH 0.9536
18 92G 0.9519
19 0BP 0.9517
20 1Z6 0.9515
21 ICB 0.9508
22 F4E 0.9507
23 6KT 0.9504
24 CH9 0.9490
25 97T 0.9487
26 JAH 0.9486
27 GVY 0.9476
28 K34 0.9475
29 IWT 0.9475
30 HNK 0.9472
31 PNZ 0.9456
32 PHB 0.9453
33 ANN 0.9451
34 TCA 0.9446
35 AN3 0.9446
36 HX4 0.9441
37 4WL 0.9441
38 HBD 0.9432
39 X48 0.9428
40 HIS 0.9427
41 6TZ 0.9426
42 HQJ 0.9426
43 OQC 0.9423
44 L5V 0.9414
45 OTR 0.9407
46 J9N 0.9407
47 4MA 0.9406
48 E5X 0.9405
49 R20 0.9403
50 2HC 0.9399
51 HDH 0.9398
52 4P5 0.9397
53 UNJ 0.9396
54 3VS 0.9396
55 E3X 0.9394
56 PAB 0.9394
57 I3E 0.9390
58 GVG 0.9388
59 52C 0.9384
60 ESX 0.9383
61 M45 0.9383
62 BPN 0.9377
63 FZM 0.9376
64 RA7 0.9372
65 1Y6 0.9371
66 6NT 0.9370
67 Z82 0.9365
68 BP7 0.9358
69 NPO 0.9357
70 HC4 0.9357
71 PPY 0.9352
72 6SD 0.9347
73 0HN 0.9344
74 9R5 0.9341
75 MQN 0.9338
76 4ZA 0.9337
77 M3H 0.9336
78 TYR 0.9334
79 PO6 0.9333
80 GO2 0.9332
81 826 0.9326
82 PBZ 0.9325
83 4LW 0.9324
84 9CA 0.9324
85 174 0.9321
86 PH3 0.9321
87 3ZB 0.9320
88 50C 0.9318
89 N2Z 0.9315
90 INO 0.9313
91 4BL 0.9313
92 NCT 0.9310
93 0HO 0.9310
94 0TU 0.9307
95 JF6 0.9306
96 X0U 0.9306
97 HIC 0.9304
98 XCG 0.9302
99 1F1 0.9300
100 PJW 0.9300
101 XIZ 0.9298
102 OGA 0.9298
103 AKG 0.9295
104 ENO 0.9292
105 SNO 0.9292
106 4YO 0.9291
107 JLZ 0.9290
108 2HG 0.9290
109 XDK 0.9290
110 TYE 0.9289
111 CFI 0.9289
112 4BY 0.9287
113 4HB 0.9287
114 4JQ 0.9284
115 15N 0.9284
116 7O4 0.9282
117 4NB 0.9277
118 8ZE 0.9276
119 AMH 0.9275
120 2HU 0.9271
121 1IT 0.9270
122 P81 0.9266
123 2ZM 0.9265
124 80G 0.9264
125 4HP 0.9263
126 S2G 0.9261
127 5NI 0.9259
128 AOT 0.9257
129 DHB 0.9256
130 HHH 0.9256
131 NNO 0.9255
132 EN1 0.9254
133 0JD 0.9251
134 J6W 0.9251
135 MPV 0.9250
136 TSU 0.9250
137 173 0.9247
138 HNL 0.9244
139 VC3 0.9242
140 FHC 0.9240
141 6FZ 0.9238
142 363 0.9235
143 7VP 0.9234
144 6NI 0.9233
145 E1T 0.9233
146 36E 0.9230
147 4BF 0.9228
148 BPY 0.9228
149 FBB 0.9226
150 JAW 0.9224
151 URO 0.9222
152 FHB 0.9221
153 KBZ 0.9218
154 AC6 0.9218
155 3NY 0.9217
156 0NX 0.9213
157 ISZ 0.9213
158 4PN 0.9211
159 DE5 0.9210
160 AMS 0.9209
161 B1J 0.9209
162 M6H 0.9207
163 CHB 0.9203
164 DHI 0.9202
165 LQ2 0.9201
166 FDR 0.9201
167 4A3 0.9199
168 4NM 0.9199
169 54E 0.9199
170 FBM 0.9197
171 ODO 0.9196
172 TMG 0.9196
173 4LV 0.9194
174 CLW 0.9191
175 ESI 0.9190
176 HHI 0.9188
177 3HM 0.9188
178 ABI 0.9187
179 GJZ 0.9187
180 TT4 0.9185
181 PHU 0.9185
182 RNO 0.9184
183 4FA 0.9182
184 4NC 0.9181
185 MS9 0.9180
186 K2T 0.9180
187 3A9 0.9175
188 3VQ 0.9175
189 TPA 0.9172
190 PFF 0.9171
191 XIY 0.9171
192 BHO 0.9169
193 TGX 0.9168
194 GWM 0.9168
195 SWX 0.9167
196 KDG 0.9162
197 93K 0.9160
198 4J8 0.9160
199 L99 0.9159
200 P9P 0.9157
201 4JC 0.9156
202 E7S 0.9153
203 AHN 0.9149
204 BEA 0.9147
205 2BG 0.9144
206 AEG 0.9143
207 GUA 0.9142
208 LVD 0.9142
209 SW7 0.9141
210 HFA 0.9139
211 ODK 0.9138
212 PHE 0.9135
213 6RQ 0.9135
214 ES2 0.9133
215 1P8 0.9133
216 LNR 0.9131
217 BZE 0.9130
218 S0E 0.9128
219 JRB 0.9125
220 9ZE 0.9125
221 TIH 0.9124
222 DTY 0.9120
223 1A7 0.9118
224 HL4 0.9116
225 1WC 0.9114
226 PHI 0.9113
227 2F6 0.9112
228 1A5 0.9110
229 C53 0.9109
230 9FH 0.9106
231 PAC 0.9106
232 DC5 0.9105
233 MPK 0.9104
234 4I8 0.9103
235 2HO 0.9103
236 KDV 0.9101
237 1FD 0.9101
238 N3W 0.9101
239 L22 0.9099
240 1M2 0.9097
241 A29 0.9096
242 8D6 0.9093
243 YRL 0.9092
244 VGD 0.9089
245 GLN 0.9087
246 FBS 0.9086
247 1L5 0.9085
248 HCI 0.9084
249 DPN 0.9083
250 TZM 0.9082
251 A7H 0.9079
252 LR8 0.9078
253 NAG 0.9077
254 36R 0.9075
255 9TW 0.9075
256 G14 0.9074
257 AES 0.9073
258 M4S 0.9073
259 CFA 0.9073
260 ET2 0.9070
261 SAN 0.9068
262 0F9 0.9067
263 L03 0.9064
264 QIV 0.9064
265 SQ4 0.9063
266 B40 0.9062
267 X0V 0.9061
268 CXP 0.9059
269 GF4 0.9058
270 NIZ 0.9058
271 F9P 0.9056
272 GJP 0.9054
273 94W 0.9051
274 M5H 0.9049
275 LO1 0.9049
276 88L 0.9045
277 L13 0.9043
278 2BX 0.9041
279 FK8 0.9039
280 EVF 0.9038
281 C82 0.9037
282 1XA 0.9035
283 GZ2 0.9035
284 JDN 0.9030
285 OKG 0.9029
286 RUY 0.9029
287 DHR 0.9027
288 FCR 0.9026
289 CK2 0.9026
290 EQW 0.9025
291 SN4 0.9024
292 5VL 0.9023
293 A9P 0.9021
294 SKM 0.9020
295 ZZA 0.9020
296 1BN 0.9020
297 4FH 0.9017
298 56D 0.9016
299 S0D 0.9012
300 S2P 0.9011
301 SOR 0.9010
302 GLU 0.9009
303 ONR 0.9008
304 MAJ 0.9007
305 SHI 0.9007
306 FA0 0.9006
307 7MW 0.9005
308 UA5 0.9002
309 E4P 0.9002
310 AEF 0.8999
311 JB8 0.8999
312 SQ7 0.8996
313 3R4 0.8989
314 HSO 0.8988
315 FMQ 0.8988
316 8NB 0.8987
317 5OO 0.8986
318 AU8 0.8985
319 QBP 0.8983
320 HA5 0.8983
321 1HN 0.8983
322 DDU 0.8981
323 069 0.8979
324 4SX 0.8979
325 R9S 0.8978
326 5VM 0.8977
327 SLS 0.8976
328 4AA 0.8976
329 N2I 0.8975
330 JBZ 0.8971
331 E0O 0.8970
332 EXD 0.8970
333 PPT 0.8964
334 27B 0.8962
335 GZQ 0.8960
336 IAC 0.8960
337 KLE 0.8958
338 268 0.8958
339 Y3L 0.8958
340 AX7 0.8957
341 TYC 0.8954
342 PZI 0.8953
343 FBF 0.8952
344 7MU 0.8951
345 DOB 0.8951
346 S0W 0.8951
347 ABV 0.8950
348 P9E 0.8947
349 D3G 0.8945
350 RKV 0.8942
351 R9J 0.8940
352 4NZ 0.8940
353 4RU 0.8940
354 NFA 0.8939
355 L14 0.8937
356 HPP 0.8935
357 4M0 0.8935
358 R2P 0.8934
359 N4E 0.8933
360 6ZX 0.8933
361 L15 0.8933
362 DGN 0.8931
363 657 0.8929
364 QMP 0.8929
365 2FX 0.8928
366 NFM 0.8927
367 JCZ 0.8925
368 5XC 0.8925
369 CWJ 0.8924
370 LLH 0.8923
371 P7Y 0.8921
372 DHC 0.8918
373 1VK 0.8918
374 BHA 0.8917
375 BNF 0.8917
376 492 0.8913
377 JMG 0.8912
378 JA5 0.8911
379 RAT 0.8910
380 BQ2 0.8910
381 LFC 0.8908
382 CXH 0.8908
383 650 0.8908
384 PBA 0.8907
385 URS 0.8906
386 717 0.8905
387 IFP 0.8904
388 A4N 0.8902
389 MXD 0.8902
390 9FE 0.8902
391 36M 0.8901
392 LDP 0.8901
393 449 0.8899
394 12T 0.8898
395 P80 0.8898
396 CCU 0.8896
397 N9J 0.8896
398 K4V 0.8895
399 MMS 0.8895
400 9H2 0.8895
401 5TT 0.8894
402 SV4 0.8892
403 3C4 0.8892
404 2FY 0.8892
405 HXY 0.8892
406 A7N 0.8890
407 Z5P 0.8887
408 152 0.8885
409 AAS 0.8885
410 MTL 0.8885
411 EUE 0.8883
412 K7M 0.8882
413 2PK 0.8881
414 NF3 0.8881
415 BRH 0.8881
416 AY4 0.8878
417 LGT 0.8876
418 SKF 0.8874
419 DHK 0.8873
420 795 0.8873
421 ALE 0.8872
422 FUD 0.8871
423 92P 0.8871
424 2IT 0.8868
425 DGL 0.8868
426 KMY 0.8865
427 DAH 0.8864
428 5CU 0.8864
429 2PV 0.8861
430 XDE 0.8860
431 6P3 0.8860
432 KTW 0.8858
433 ZEC 0.8858
434 SSC 0.8856
435 9UL 0.8856
436 VXX 0.8854
437 CS2 0.8852
438 SHA 0.8846
439 H4E 0.8844
440 BZ3 0.8844
441 9NB 0.8844
442 IOS 0.8843
443 M4T 0.8841
444 B2Y 0.8840
445 A4T 0.8840
446 A9K 0.8839
447 PQS 0.8839
448 SMN 0.8838
449 F9Y 0.8837
450 5H6 0.8836
451 5OB 0.8833
452 GGL 0.8833
453 PCS 0.8830
454 3W8 0.8830
455 3HG 0.8828
456 61M 0.8826
457 RMN 0.8820
458 AWE 0.8819
459 0FK 0.8819
460 EKZ 0.8817
461 GOJ 0.8816
462 258 0.8816
463 3YP 0.8814
464 S0G 0.8811
465 3PG 0.8811
466 K82 0.8809
467 OOG 0.8809
468 PBC 0.8808
469 8OZ 0.8807
470 M3E 0.8802
471 1PS 0.8799
472 7MX 0.8798
473 HG3 0.8797
474 UFV 0.8797
475 1X4 0.8796
476 7N0 0.8796
477 SQV 0.8795
478 APG 0.8794
479 QY9 0.8794
480 HPS 0.8794
481 XX2 0.8790
482 PRA 0.8789
483 K80 0.8789
484 9RW 0.8788
485 DHS 0.8788
486 MP5 0.8787
487 86L 0.8787
488 4MB 0.8786
489 4CF 0.8785
490 BAM 0.8785
491 2MI 0.8783
492 KYN 0.8783
493 RSO 0.8781
494 2D2 0.8779
495 YIE 0.8778
496 LL1 0.8777
497 DZA 0.8776
498 AL0 0.8776
499 2AL 0.8775
500 FAN 0.8774
501 PQM 0.8769
502 LJ3 0.8768
503 MAH 0.8766
504 H8N 0.8765
505 4NP 0.8764
506 42J 0.8764
507 54Z 0.8761
508 ZYX 0.8759
509 CP7 0.8758
510 CXF 0.8758
511 I1E 0.8756
512 QME 0.8755
513 AMQ 0.8754
514 B85 0.8753
515 4CM 0.8752
516 I4B 0.8749
517 8U3 0.8746
518 92K 0.8741
519 N2Y 0.8739
520 BP3 0.8738
521 3QO 0.8736
522 X11 0.8733
523 2O6 0.8732
524 13P 0.8732
525 AX3 0.8732
526 QUS 0.8730
527 SME 0.8729
528 QBS 0.8729
529 KTA 0.8727
530 6J5 0.8724
531 3QM 0.8723
532 4VY 0.8721
533 EYV 0.8720
534 23J 0.8720
535 5XB 0.8720
536 BDP 0.8720
537 DVQ 0.8718
538 A5Q 0.8718
539 3VW 0.8717
540 FF2 0.8715
541 GB4 0.8715
542 45L 0.8707
543 RKN 0.8705
544 4NS 0.8705
545 8NX 0.8705
546 EGR 0.8702
547 SEP 0.8701
548 M1Z 0.8701
549 S7J 0.8699
550 C2Y 0.8699
551 DEZ 0.8699
552 1CY 0.8698
553 505 0.8697
554 Z13 0.8696
555 DHY 0.8696
556 KMH 0.8695
557 AMR 0.8692
558 CC5 0.8691
559 AM4 0.8691
560 GT4 0.8689
561 4FF 0.8689
562 2FT 0.8688
563 PKU 0.8687
564 ALA ALA 0.8684
565 49F 0.8683
566 H75 0.8683
567 A2G 0.8683
568 GCO 0.8682
569 GB5 0.8682
570 4FE 0.8681
571 S7A 0.8676
572 AZM 0.8676
573 SOJ 0.8675
574 ONH 0.8674
575 CLU 0.8673
576 DQA 0.8671
577 M1T 0.8668
578 GLY GLY 0.8666
579 Q06 0.8665
580 4XF 0.8665
581 Z70 0.8660
582 GLO 0.8660
583 YPN 0.8658
584 PGH 0.8657
585 GRO 0.8656
586 HWD 0.8655
587 LZ5 0.8652
588 AVI 0.8650
589 TRP 0.8649
590 EOU 0.8648
591 4JE 0.8646
592 T2D 0.8642
593 TID 0.8639
594 Y0V 0.8637
595 N1E 0.8636
596 4XS 0.8636
597 ERZ 0.8633
598 PNP 0.8632
599 NGA 0.8632
600 4XV 0.8630
601 Y4L 0.8629
602 FA1 0.8628
603 RP3 0.8627
604 SAF 0.8621
605 QIC 0.8620
606 5WZ 0.8618
607 LSQ 0.8618
608 GP9 0.8613
609 IPB 0.8613
610 TIU 0.8611
611 XRS 0.8604
612 NDG 0.8604
613 FYR 0.8594
614 BBK 0.8587
615 PMF 0.8585
616 7Q1 0.8583
617 9RH 0.8569
618 K97 0.8565
619 0UL 0.8559
620 G3H 0.8559
621 LYS 0.8550
622 9GB 0.8545
623 TJM 0.8536
624 8V8 0.8536
625 4FC 0.8529
626 E7Z 0.8529
627 3XR 0.8528
628 0OK 0.8527
629 7N8 0.8520
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3UTU; Ligand: 1TS; Similar sites found with APoc: 5
This union binding pocket(no: 1) in the query (biounit: 3utu.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 1GJC 130 45.0593
2 1OSS BEN 47.0852
3 6B74 BEN 48.1481
4 1FIW PBZ 49.0347
5 1PQ7 ARG 49.5536
APoc FAQ
Feedback