Receptor
PDB id Resolution Class Description Source Keywords
6AXQ 1.3 Å EC: 2.3.1.48 CREBBP BROMODOMAIN IN COMPLEX WITH CPD6 (METHYL 1H-INDOLE-3- CARBOXYLATE) HOMO SAPIENS CREBBP BROMODOMAIN TRANSFERASE-TRANSFERASE INHIBITOR COMPL
Ref.: A UNIQUE APPROACH TO DESIGN POTENT AND SELECTIVE CY ADENOSINE MONOPHOSPHATE RESPONSE ELEMENT BINDING PR BINDING PROTEIN (CBP) INHIBITORS. J. MED. CHEM. V. 60 10151 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DMS D:1201;
B:1201;
A:1201;
A:1202;
C:1202;
C:1201;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
78.133 C2 H6 O S CS(=O...
C2Y A:1203;
B:1202;
C:1203;
D:1202;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
ic50 = 99000 nM
175.184 C10 H9 N O2 COC(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6AY3 1.39 Å EC: 2.3.1.48 CREBBP BROMODOMAIN IN COMPLEX WITH CPD16 (5-(7-(DIFLUOROMETH METHYL-1H-PYRAZOL-4-YL)-3,4-DIHYDROQUINOLIN-1(2H)-YL)-N-METI NDOLE-3-CARBOXAMIDE) HOMO SAPIENS CREBBP BROMODOMAIN TRANSFERASE-TRANSFERASE INHIBITOR COMPL
Ref.: A UNIQUE APPROACH TO DESIGN POTENT AND SELECTIVE CY ADENOSINE MONOPHOSPHATE RESPONSE ELEMENT BINDING PR BINDING PROTEIN (CBP) INHIBITORS. J. MED. CHEM. V. 60 10151 2017
Members (36)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 64 families.
1 5NLK Kd = 0.035 uM 92E C24 H23 N3 O6 CCOc1ccc(c....
2 5MQE Kd = 4 uM PKU C6 H7 Br N2 O CNC(=O)c1c....
3 4YK0 Kd = 181 uM 098 C24 H29 N3 O5 c1ccc2c(c1....
4 5MPZ Kd = 85 uM 4I8 C9 H7 N O4 COC(=O)c1c....
5 6AXQ ic50 = 99000 nM C2Y C10 H9 N O2 COC(=O)c1c....
6 5DBM Kd = 0.35 uM 58N C17 H22 N4 O C[C@@H]1CC....
7 5LPM Kd = 2.77 uM 71Y C20 H23 Cl N2 O3 CCc1c(c([n....
8 5NRW - 96N C21 H22 N2 O2 CCc1c(c([n....
9 3P1D - MB3 C5 H9 N O CN1CCCC1=O
10 5LPJ Kd = 10.1 uM XDM C17 H19 Cl N2 O2 CCc1c(c([n....
11 6FQO ic50 = 0.14 uM E2T C26 H24 N2 O6 CCOc1ccc(c....
12 4TQN Kd = 0.77 uM UL4 C18 H17 N O5 CCOc1ccc(c....
13 6FRF ic50 = 0.04 uM E3T C26 H24 N2 O5 CCOc1ccc(c....
14 5TB6 Kd = 1.53 uM 77X C15 H17 N3 O CCC(=O)N1C....
15 5MQK - QPR C11 H11 N O CC(=O)c1cn....
16 5MQG - F31 C9 H11 N O2 CC(=O)c1cc....
17 5I83 ic50 = 4.1 uM 68Y C18 H20 N2 O2 C[C@@H]1CC....
18 4A9K - TYL C8 H9 N O2 CC(=O)Nc1c....
19 5I86 ic50 = 0.53 uM 69A C18 H19 N3 O2 C[C@@H]1CC....
20 6FR0 ic50 = 0.146 uM E3H C27 H26 N2 O6 CCN1C(=O)C....
21 5NU5 Kd = 0.47 uM 99E C21 H22 N2 O4 CCc1c(c([n....
22 5LPK Kd = 3.06 uM XDM C17 H19 Cl N2 O2 CCc1c(c([n....
23 5MME Kd = 1.4 uM 8Q6 C20 H21 N O6 CCOc1ccc(c....
24 5I89 ic50 = 0.033 uM 69B C21 H22 N4 O C[C@@H]1CC....
25 5NU3 Kd = 0.23 uM 99E C21 H22 N2 O4 CCc1c(c([n....
26 5OWK - 7MX C9 H10 Cl N O3 CCOC(=O)C1....
27 6AY5 ic50 = 69 nM C3V C22 H20 F2 N4 O S Cn1cc(cn1)....
28 5LPL Kd = 12 uM 71X C20 H23 Cl N2 O3 CCc1c(c([n....
29 6FQU ic50 = 2.2 uM E3B C21 H23 F2 N O2 CCOc1ccc(c....
30 6DMK - 2LL C26 H30 N4 O2 Cc1c(c(on1....
31 5MMG Kd = 0.97 uM UT0 C19 H20 N2 O4 S CCOc1ccc(c....
32 5MPN Kd = 0.085 uM YE5 C17 H16 N4 O2 CCOc1ccc(c....
33 5J0D Kd = 134 nM 6F9 C27 H35 N3 O5 CCC(=O)N1C....
34 6AY3 ic50 = 9.5 nM C3J C24 H23 F2 N5 O CNC(=O)c1c....
35 5MPK Kd = 0.003 uM 0BC C21 H18 N6 O3 S CCOc1ccc(c....
36 5CGP Kd = 0.12 uM 53W C27 H32 N4 O3 Cc1c(c(on1....
70% Homology Family (42)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 families.
1 5NLK Kd = 0.035 uM 92E C24 H23 N3 O6 CCOc1ccc(c....
2 5MQE Kd = 4 uM PKU C6 H7 Br N2 O CNC(=O)c1c....
3 4YK0 Kd = 181 uM 098 C24 H29 N3 O5 c1ccc2c(c1....
4 5MPZ Kd = 85 uM 4I8 C9 H7 N O4 COC(=O)c1c....
5 6AXQ ic50 = 99000 nM C2Y C10 H9 N O2 COC(=O)c1c....
6 5DBM Kd = 0.35 uM 58N C17 H22 N4 O C[C@@H]1CC....
7 5LPM Kd = 2.77 uM 71Y C20 H23 Cl N2 O3 CCc1c(c([n....
8 5NRW - 96N C21 H22 N2 O2 CCc1c(c([n....
9 3P1D - MB3 C5 H9 N O CN1CCCC1=O
10 5LPJ Kd = 10.1 uM XDM C17 H19 Cl N2 O2 CCc1c(c([n....
11 6FQO ic50 = 0.14 uM E2T C26 H24 N2 O6 CCOc1ccc(c....
12 4TQN Kd = 0.77 uM UL4 C18 H17 N O5 CCOc1ccc(c....
13 6FRF ic50 = 0.04 uM E3T C26 H24 N2 O5 CCOc1ccc(c....
14 5TB6 Kd = 1.53 uM 77X C15 H17 N3 O CCC(=O)N1C....
15 5MQK - QPR C11 H11 N O CC(=O)c1cn....
16 5MQG - F31 C9 H11 N O2 CC(=O)c1cc....
17 5I83 ic50 = 4.1 uM 68Y C18 H20 N2 O2 C[C@@H]1CC....
18 4A9K - TYL C8 H9 N O2 CC(=O)Nc1c....
19 5I86 ic50 = 0.53 uM 69A C18 H19 N3 O2 C[C@@H]1CC....
20 6FR0 ic50 = 0.146 uM E3H C27 H26 N2 O6 CCN1C(=O)C....
21 5NU5 Kd = 0.47 uM 99E C21 H22 N2 O4 CCc1c(c([n....
22 5LPK Kd = 3.06 uM XDM C17 H19 Cl N2 O2 CCc1c(c([n....
23 5MME Kd = 1.4 uM 8Q6 C20 H21 N O6 CCOc1ccc(c....
24 5I89 ic50 = 0.033 uM 69B C21 H22 N4 O C[C@@H]1CC....
25 5NU3 Kd = 0.23 uM 99E C21 H22 N2 O4 CCc1c(c([n....
26 5OWK - 7MX C9 H10 Cl N O3 CCOC(=O)C1....
27 6AY5 ic50 = 69 nM C3V C22 H20 F2 N4 O S Cn1cc(cn1)....
28 5LPL Kd = 12 uM 71X C20 H23 Cl N2 O3 CCc1c(c([n....
29 6FQU ic50 = 2.2 uM E3B C21 H23 F2 N O2 CCOc1ccc(c....
30 6DMK - 2LL C26 H30 N4 O2 Cc1c(c(on1....
31 5MMG Kd = 0.97 uM UT0 C19 H20 N2 O4 S CCOc1ccc(c....
32 5MPN Kd = 0.085 uM YE5 C17 H16 N4 O2 CCOc1ccc(c....
33 5J0D Kd = 134 nM 6F9 C27 H35 N3 O5 CCC(=O)N1C....
34 6AY3 ic50 = 9.5 nM C3J C24 H23 F2 N5 O CNC(=O)c1c....
35 5MPK Kd = 0.003 uM 0BC C21 H18 N6 O3 S CCOc1ccc(c....
36 5CGP Kd = 0.12 uM 53W C27 H32 N4 O3 Cc1c(c(on1....
37 5XXH ic50 = 6.8 uM E0D C18 H20 N2 O4 CC(=O)c1cn....
38 5W0L ic50 = 1.1 nM 9UD C27 H32 F2 N6 O2 CC(=O)N1CC....
39 5W0F ic50 = 16 nM 9U7 C25 H30 N6 O2 CC(=O)N1CC....
40 5W0E ic50 = 0.94 nM 9U4 C27 H33 F2 N7 O2 CNC(=O)N1C....
41 5W0Q ic50 = 18 uM 9UG C12 H16 N2 O2 Cc1ccc2c(c....
42 5W0I ic50 = 1.4 nM 9UA C26 H30 F2 N6 O2 CC(=O)N1CC....
50% Homology Family (389)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6JJ3 ic50 = 100 nM BS6 C23 H25 N5 O4 S CN1CCN(CC1....
2 6P05 ic50 = 5.9 nM YF2 C30 H28 N6 O3 S CCS(=O)(=O....
3 4IOO - BAE C6 H13 N O CC(C)(C)C(....
4 5I88 Kd = 250 nM 69G C20 H21 N3 O2 C/C=C/CN1C....
5 5DX4 Kd = 0.137 uM E0C C20 H17 Br N2 O4 S CCN1c2ccc(....
6 6JJB ic50 = 49.5 nM BT0 C19 H16 N2 O4 S CN1c2ccc(c....
7 3JVK Kd = 118 uM GLY GLY ALY ALA PRO ARG LYS GLN n/a n/a
8 4HBX ic50 = 1.9 uM 14X C13 H17 N3 O3 S CN1Cc2cc(c....
9 4NUE Ki = 0.15 uM NUE C19 H19 N5 O3 S Cc1cc(c(c(....
10 6SB8 Kd = 0.07 uM L45 C21 H27 N3 O5 S CCN(CC)S(=....
11 5Y94 Kd = 164 nM 8QC C16 H16 Br N3 O4 S Cc1c2cc(c(....
12 6DMJ - 53W C27 H32 N4 O3 Cc1c(c(on1....
13 4HXR ic50 = 4.1 uM 1A4 C13 H10 N2 O3 S3 c1cc(cc(c1....
14 6DML - 9BM C25 H26 N4 O4 Cc1c(c(on1....
15 5TI5 ic50 = 41 uM 7CN C16 H13 Br N2 O3 S c1cc(cc(c1....
16 6VUJ ic50 = 35.2 uM RLY C23 H30 N2 O5 S CCN(CC)S(=....
17 6X7B ic50 = 27 nM ZVP C26 H24 N4 O5 S c1cc(cnc1)....
18 4O7C ic50 = 10 uM 2RK C22 H23 N5 O C1CNCCC1C2....
19 4IOQ - BAQ C4 H7 N O C1CC(=O)NC....
20 4HXK - 1AJ C11 H11 N3 O S c1csc2c1CN....
21 6S6K Kd = 0.18 uM KXK C24 H31 N3 O5 S Cc1c2c(c([....
22 2YEL ic50 = 15.5 nM WSH C25 H21 N5 O2 Cc1nnc2n1-....
23 6RWJ Kd = 6.41 uM KLK C12 H16 N2 O2 Cc1c2c(c([....
24 6SA2 Kd = 0.08 uM L25 C22 H27 N3 O6 S Cc1c2c(c([....
25 6XV7 - O2Q C14 H13 F2 N5 Cc1nnc2n1n....
26 4BW4 ic50 = 631 nM 9B6 C22 H16 F3 N5 O4 Cc1c(c(on1....
27 4O72 ic50 = 1 uM 2R4 C25 H19 N O3 S c1ccc2c(c1....
28 5F63 Kd = 12 nM 5W2 C28 H35 Cl F N7 O3 S Cc1cnc(nc1....
29 5HLS ic50 = 0.039 uM 62G C20 H16 Cl N3 O2 Cc1c-2c(on....
30 4HBW ic50 = 4.8 uM 14Z C11 H15 N3 O3 S CCNS(=O)(=....
31 4OGI Kd = 37 nM R78 C28 H39 N7 O3 CC[C@@H]1C....
32 6WW8 - YR0 C31 H32 N6 O4 S CN(C)C(=O)....
33 5TI7 ic50 = 11 uM 7CQ C17 H19 Br N2 O4 S COc1ccc(cc....
34 4J0S ic50 = 0.382 uM 1H3 C18 H17 N O3 Cc1c(c(on1....
35 6Q3Y Kd = 54 nM HG5 C30 H38 N6 O2 CC[C@@H]1C....
36 6SAJ Kd = 0.05 uM L2Z C23 H27 N3 O6 S Cc1c2c(c([....
37 4F3I Kd = 36.1 nM 0S6 C20 H19 Cl N4 O2 S Cc1c(sc-2c....
38 4QZS Kd = 89 nM JQ1 C23 H26 Cl N4 O2 S Cc1c(sc-2c....
39 6AFR ic50 = 70 nM 9E3 C13 H10 F N3 O c1cc2c(ccc....
40 4WIV Kd = 550 nM 3P2 C21 H23 N5 O Cc1c(c(on1....
41 6VUF ic50 = 147 uM RLV C14 H20 N2 O3 S CCCNS(=O)(....
42 3P5O Kd = 55.2 nM EAM C22 H22 Cl N5 O2 CCNC(=O)C[....
43 4UIX ic50 = 0.00000001 M TVU C22 H24 N2 O6 S2 CN1C=C(c2c....
44 4HXS ic50 = 4.1 uM 1A3 C16 H14 N2 O3 S2 c1ccc(cc1)....
45 5HM0 ic50 = 0.44 uM 62V C18 H13 Cl N2 O Cc1c-2c(on....
46 5DLX Kd = 2 uM 5D2 C25 H33 Cl N8 O Cc1nnc2n1n....
47 5TI2 ic50 = 24 uM 7CJ C16 H15 F N2 O3 S c1cc(cc(c1....
48 5D3H Kd = 7.9 uM 57G C20 H27 N3 O6 S CCc1c(c([n....
49 6E4A Kd = 44 nM HRY C29 H34 Cl N7 O CN1C=C(C=C....
50 4MEP ic50 = 4.7 uM 24Y C19 H14 Cl N5 O Cc1cccnc1n....
51 4YH4 ic50 = 26 uM Y81 C20 H15 N3 O2 c1ccc(cc1)....
52 5D3N Kd = 9.2 uM L40 C18 H23 N3 O4 S CCc1c(c([n....
53 6C7R Kd = 2.2 nM EO4 C24 H25 N7 O2 Cc1c(c(on1....
54 6WGX ic50 = 0.15 uM U0D C31 H36 F3 N7 Cc1cc(cc(c....
55 6HOV - FER C10 H10 O4 COc1cc(ccc....
56 5D26 Kd = 0.81 uM L28 C19 H26 N4 O5 S CCc1c(c([n....
57 3MUK Kd = 380 uM ALA THR PRK ALA ALA ARG LYS SER n/a n/a
58 4J3I Kd = 8.93 uM 1K0 C20 H22 N2 O5 Cc1cc(cc(c....
59 6X7D ic50 = 388 nM UT4 C19 H18 N2 O4 S c1cc2c(cc1....
60 4QB3 Kd = 3.4 uM 30M C17 H21 N3 O2 CC(=O)NCCC....
61 4LZS Kd = 16 uM L46 C11 H16 N2 O2 CCc1c(c([n....
62 6HDQ ic50 = 5.01 uM FZE C30 H37 F2 N5 O Cc1cc(cnc1....
63 4O71 ic50 = 18 uM CPB C21 H20 Cl N O5 C[N@]1CC[C....
64 4CFL Kd = 1.33 uM 8DQ C19 H18 N2 O2 c1ccc(cc1)....
65 4C67 - L5S C15 H12 N4 S Cc1nnc2n1-....
66 6V1K - 5SW C20 H23 N3 O3 CN1C=C(c2c....
67 4QR3 ic50 = 1.4 uM BNJ C14 H16 N2 O3 S2 c1cc(cc(c1....
68 4ZC9 - 4MW C38 H37 Cl N8 O7 S Cc1c(sc-2c....
69 4MEO - 25V C18 H16 N2 O2 Cc1cc(c2cc....
70 6UVM Kd = 510 uM QJA C11 H13 N O S2 CC(=O)N1CC....
71 4LRG ic50 = 0.026 uM 1XB C20 H18 Cl N3 O2 S Cc1c(sc-2c....
72 6CKS ic50 = 0.015 uM F5Y C23 H23 N3 O4 S CCS(=O)(=O....
73 6DJC Ki = 232.8 nM CF6 C48 H54 Cl2 N10 O2 S2 Cc1c(sc-2c....
74 5TI3 ic50 = 44 uM 7CG C16 H14 Br2 N2 O3 S c1cc(cc(c1....
75 4HXP - 1A5 C10 H10 N2 O3 c1cc(ccc1C....
76 6PSB ic50 = 24 uM Y18 C17 H19 N3 O2 CN1C[C@H](....
77 6CD4 ic50 = 5.14 uM EX1 C33 H42 N8 O3 CC(C)N1c2c....
78 4O7E ic50 = 5.7 uM 2RN C20 H15 N3 O c1ccc(cc1)....
79 4O74 ic50 = 0.025 uM R78 C28 H39 N7 O3 CC[C@@H]1C....
80 4BW2 ic50 = 6.31 uM UTH C24 H24 N4 O3 Cc1c(c(on1....
81 5CS8 ic50 = 2.29 uM EB8 C21 H18 N2 O5 S CCN1c2ccc(....
82 3U5J Kd = 2.46 uM 08H C17 H13 Cl N4 Cc1nnc2n1-....
83 5EIS Kd = 1.8 uM 5OU C14 H13 Cl N4 O2 CCn1cnc2c1....
84 6FO5 Kd = 0.19 uM DZH C25 H26 N6 O5 S CCn1cnc2c1....
85 6V1L Kd = 418 nM 5U6 C20 H23 N3 O3 CN1C=C(c2c....
86 3U5L Kd = 0.64 uM 08K C17 H14 Cl N5 Cc1nnc2n1-....
87 4QR4 ic50 = 0.25 uM BNK C14 H15 Cl N2 O3 S2 c1cc(c(cc1....
88 4O7A ic50 = 19 uM 2RF C16 H10 Cl2 N2 O3 c1cc(cc(c1....
89 5F61 Kd = 35 nM 5W0 C26 H34 F N7 O2 S Cc1cnc(nc1....
90 4HXN - 1A7 C9 H6 F N O S c1ccc(c(c1....
91 6DL2 Ki = 33 nM GUJ C17 H17 N3 O S Cc1c(c2c(s....
92 5Z5U - 96U C12 H10 N4 O2 c1cn(cn1)c....
93 5TI4 ic50 = 26 uM 7CM C16 H14 Cl F N2 O3 S c1cc(cc(c1....
94 5Y8C ic50 = 0.16 uM 8P9 C16 H15 Cl N2 O5 S Cc1c2cc(c(....
95 4NUD Ki < 0.0845 uM NUD C18 H17 N5 O3 S Cc1cc(c(cc....
96 4O7B ic50 = 20 uM 2RJ C26 H26 F N5 O Cc1cccc(c1....
97 5CPE ic50 = 0.45 uM EB2 C20 H24 N2 O3 S CCN1c2ccc(....
98 5MLI ic50 = 130 uM 82I C6 H8 Cl N3 O CNC1=C(C(=....
99 5DW2 Kd = 1.44 uM 5GD C24 H29 N3 O4 Cc1cc(cc(c....
100 5D3P Kd = 7.4 uM 57E C19 H21 N3 O4 S CCc1c(c([n....
101 4PCE ic50 = 7 uM 2N0 C17 H19 N O CCc1cc2c(n....
102 5D25 Kd = 0.46 uM 56M C19 H25 N3 O5 S CCN(CC)S(=....
103 5DLZ Kd = 1.8 uM 5D1 C28 H35 N3 O3 Cc1cccc(c1....
104 5Y8W ic50 = 0.23 uM 8PU C15 H13 Br N2 O5 S Cc1c2cc(c(....
105 4J0R ic50 = 0.386 uM 1H2 C18 H17 N O3 Cc1c(c(on1....
106 6MH7 ic50 = 1.3 uM JQY C26 H27 F N6 Cc1ccc(cc1....
107 5F60 Kd = 43 nM 5VZ C26 H34 Cl N7 O2 S Cc1cnc(nc1....
108 5Z5V ic50 = 287 nM 96X C15 H14 N4 O2 CC(=O)Nc1c....
109 4HXO - 1A6 C11 H10 N4 O S Cc1cc(on1)....
110 5CRM ic50 = 1.09 uM EB5 C15 H16 N2 O3 S CCNS(=O)(=....
111 6YQN ic50 = 0.72 uM P8T C32 H28 Cl N7 O2 S Cc1c(sc-2c....
112 5CQT Kd = 0.124 uM EB3 C19 H22 N2 O3 S CCN1c2ccc(....
113 5KHM Ki = 5.012 nM XNH C25 H33 N7 O3 C[C@@H]1C(....
114 6XV3 - O2B C28 H33 N9 O Cc1nnc2n1c....
115 4Z1S ic50 = 0.79 uM 559 C23 H21 Cl N6 Cc1nnc2n1-....
116 4MR3 - 1K0 C20 H22 N2 O5 Cc1cc(cc(c....
117 5MKZ ic50 = 20 uM RNK C11 H12 Cl N3 O S Cc1ccsc1CN....
118 5ULA Ki = 77 nM 5MJ C20 H19 Cl N2 O3 CC1=C(CCC1....
119 4O78 ic50 = 4.6 uM SAV C21 H22 N6 O3 Cc1c2ccc(c....
120 6XVC - O32 C22 H21 N5 O2 Cc1nnc2n1c....
121 4OGJ Kd = 164 nM 2TA C27 H36 N6 O3 S Cc1cnc(nc1....
122 5A85 ic50 = 5.01 uM 78J C21 H30 N4 O2 CC1=Cc2ccn....
123 5TI6 ic50 = 21 uM 7CO C16 H14 F2 N2 O3 S c1cc(cc(c1....
124 6MAU - JBS C30 H32 N6 O3 Cc1c(c(on1....
125 6S4B Kd = 0.14 uM KUH C22 H29 N3 O5 S CCN(CC)S(=....
126 6Q3Z Kd = 44 nM HG8 C29 H38 N6 O2 S CC[C@@H]1C....
127 6V0U Kd = 392 nM BMF C17 H20 N6 O4 S CCOC(=O)Nc....
128 6VUC ic50 = 144 uM RLS C16 H22 N2 O3 S CN1C[C@H](....
129 4MR4 - 1K0 C20 H22 N2 O5 Cc1cc(cc(c....
130 4QR5 ic50 = 0.06 uM BNM C18 H21 N3 O4 S2 c1c(cc(cc1....
131 4MEQ - 25O C12 H11 N5 Cc1cc(n2c(....
132 4O77 ic50 = 2.5 uM 2RE C20 H14 F N3 O c1cc(ccc1c....
133 6XUZ - O1W C24 H33 N9 O2 Cc1nnc2n1c....
134 5EI4 ic50 = 26.4 uM 5NV C17 H17 Cl N8 O2 S CCn1c(nc2c....
135 5CY9 Kd = 0.218 uM E0A C17 H20 N2 O3 S CCCCS(=O)(....
136 6MH1 ic50 = 1.7 uM JQP C26 H27 F N6 Cc1cc(cc(c....
137 5CRZ ic50 = 0.45 uM EB7 C19 H14 Cl F N2 O3 S CCN1c2ccc(....
138 5Y93 ic50 = 2.27 uM 8Q9 C23 H27 Br N4 O7 S Cc1c2cc(c(....
139 5AD2 Kd = 63 nM ETU C24 H30 Cl N7 O2 C[C@@H]1C(....
140 4E96 ic50 = 0.22 uM 0NS C16 H17 N3 O4 S CN1Cc2cc(c....
141 5D0C Kd = 2.34 uM E0B C21 H25 N3 O4 S CCN1c2ccc(....
142 4O7F ic50 = 13 uM 2RQ C25 H24 F N5 O2 COc1ccccc1....
143 5CP5 Kd = 1.234 uM EB0 C19 H15 F N2 O3 S CCN1c2ccc(....
144 4CFK Kd = 1.83 uM LY2 C19 H17 N O3 c1ccc(cc1)....
145 5D3R - 57C C23 H31 N3 O4 S CCCc1c(c([....
146 4NUC Ki = 0.91 uM 435 C19 H18 N4 O3 S Cc1cc(cc(c....
147 4HXL ic50 = 2.2 uM 1A9 C22 H25 N3 O4 S3 c1cc(sc1)S....
148 6CIY ic50 = 0.41 uM F3J C34 H42 N8 O3 CN1CCN(CC1....
149 5D3L Kd = 0.88 uM 57F C21 H29 N3 O5 S CCc1c(c([n....
150 4A9L - P9L C14 H19 N3 O4 S CN1Cc2cc(c....
151 4XYA Kd = 1370 nM 43S C13 H8 Br N5 O c1coc2c1cc....
152 4C66 - H4C C17 H16 Cl N4 S CCc1cc2c(s....
153 6UWU ic50 ~ 70 nM QKP C27 H34 N2 O6 Cc1cc(cc(c....
154 4O76 ic50 = 0.13 uM 1M3 C26 H35 N7 O2 S Cc1cnc(nc1....
155 5LJ2 ic50 = 10 uM 6XW C25 H32 N6 O4 S CC1=Cc2c(c....
156 6CD5 - R4L C35 H44 N8 O3 CN1CCN(CC1....
157 5I80 Kd = 62 nM 67B C17 H17 N3 O2 CN1C=C(c2c....
158 4O75 ic50 = 21 uM 2RC C23 H26 F N6 O9 P CC1(C(=O)N....
159 5NNF - PHE LEU PRO HIS ALY TYR ASP VAL LYS LEU n/a n/a
160 3ZYU ic50 = 0.1 uM 1GH C23 H21 N5 O3 Cc1c(c(on1....
161 4Z1Q ic50 = 0.015 uM 558 C23 H21 Cl N6 Cc1nnc2n1-....
162 6SA3 Kd = 0.42 uM L2N C23 H30 N4 O5 S Cc1c2c(c([....
163 5IGK Kd = 41.8 nM BMF C17 H20 N6 O4 S CCOC(=O)Nc....
164 5Y1Y ic50 = 0.98 uM HNQ C9 H6 N2 O3 c1cc2c(ccc....
165 5Z5T - 96R C12 H10 N4 O c1cc2c(cc(....
166 6V1U - QMG C20 H19 N3 O2 Cc1ccc(cc1....
167 5KDH Ki = 0.37 uM 6RX C18 H17 N3 O4 CCN1C2=C([....
168 4PS5 ic50 = 0.29 uM 2TA C27 H36 N6 O3 S Cc1cnc(nc1....
169 5D24 Kd = 5.8 uM L26 C18 H21 N3 O4 CCc1c(c([n....
170 5ACY Kd = 6.4 nM 9S3 C30 H35 N3 O C[C@H]1C[C....
171 5HCL ic50 = 6 mM 5Y9 C4 H9 N O CC(=O)N(C)....
172 5COI ic50 = 2.58 uM 55K C20 H22 N2 O5 S CCN1c2ccc(....
173 6UWX Kd = 290 uM QKD C12 H17 N O2 S2 CCOC(=O)N1....
174 5Y8Y Kd = 82 nM 8PX C16 H15 Br N2 O5 S Cc1c2cc(c(....
175 4HXM ic50 = 0.79 uM 1A8 C17 H17 N3 O4 S3 CCCC(=O)Nc....
176 5F62 Kd = 6.8 nM 5W1 C26 H33 Cl F N7 O2 S Cc1cnc(nc1....
177 5D3S Kd = 1.3 uM 579 C20 H24 F N3 O5 S CCc1c(c([n....
178 6YQP ic50 = 1.35 uM P8N C29 H27 Cl N6 O3 S Cc1c(sc-2c....
179 6AJX Kd = 9.1 uM HCC C15 H12 O4 c1cc(ccc1C....
180 4LYW Kd = 237 nM 21Q C20 H27 N3 O5 S CCc1c(c([n....
181 4HBV ic50 = 23 uM 15E C9 H9 Br N2 O CN1Cc2cc(c....
182 5LUU Kd = 8.63 uM 77X C15 H17 N3 O CCC(=O)N1C....
183 4YH3 ic50 = 26 uM Y80 C24 H20 N2 O3 COc1ccc(cc....
184 6AJV Kd = 9.1 uM HCC C15 H12 O4 c1cc(ccc1C....
185 6CZV ic50 = 0.23 uM FOY C17 H16 N2 O2 Cc1c(c(on1....
186 4X2I ic50 = 0.35 uM 3X0 C18 H17 Cl N4 Cc1nnc2n1-....
187 6CJ1 ic50 = 6.31 uM FND C34 H44 N8 O3 CC[C@H](C)....
188 5F5Z Kd = 86 nM 5VY C26 H35 N7 O2 S Cc1cnc(nc1....
189 6UVJ Kd = 20 uM QJ1 C11 H15 N O2 S2 COC(=O)N1C....
190 6FNX ic50 = 12.6 uM DYZ C14 H14 N4 O2 CCn1cnc2c1....
191 4HBY ic50 = 4.4 uM 13F C15 H15 N3 O3 S CN1Cc2cc(c....
192 5D3J Kd = 5.7 uM L33 C20 H27 N3 O4 S CCc1c(c([n....
193 6AJY Kd = 5.3 uM A0R C16 H14 O4 COc1ccccc1....
194 3MUL - GLY GLY BTK ALA PRO ARG LYS GLN n/a n/a
195 4LR6 ic50 = 33 uM 1XA C10 H10 N2 O Cc1c(c(on1....
196 5AD3 Kd = 7.9 nM K6K C26 H30 N10 O3 CN(CCOc1cc....
197 4PCI ic50 = 7.5 uM 2NJ C16 H16 N2 O CN1c2ccccc....
198 5D3T Kd = 12 uM 56Y C19 H23 N3 O3 CCc1c(c([n....
199 6SAH Kd = 0.26 uM L2W C23 H29 N3 O5 S Cc1c2c(c([....
200 5LJ1 ic50 > 0.0000316 M 6XX C28 H35 F2 N5 O3 Cc1cc(cnc1....
201 4O70 ic50 = 19 uM 1QK C21 H29 N6 O2 CCc1cnn2c1....
202 4XY9 Kd = 4651 nM 43U C12 H10 Br N5 O COc1ccc(cc....
203 3MXF - JQ1 C23 H26 Cl N4 O2 S Cc1c(sc-2c....
204 5CFW Kd = 0.78 uM 53W C27 H32 N4 O3 Cc1c(c(on1....
205 5A5S ic50 = 1.3 uM NP8 C20 H23 N5 O2 CC1=Cc2c(c....
206 4UIY ic50 = 0.00000001 M 5V2 C21 H20 F3 N3 O3 S2 CN1C=C(c2c....
207 6PS9 ic50 = 79 uM Y17 C18 H21 N3 O2 CN1C[C@@H]....
208 4LZR Kd = 20 uM LOC C22 H25 N O6 CC(=O)N[C@....
209 6PRT ic50 = 2120 uM OWA C8 H13 N O3 CN1C[C@H](....
210 4BW1 ic50 = 1.26 uM S5B C25 H25 N3 O3 Cc1c(c(on1....
211 6YQO ic50 = 4.53 uM P8Q C33 H36 Cl N7 O4 S Cc1c(sc-2c....
212 4MEN - 25K C15 H17 N5 Cc1ccc(cc1....
213 6CIS ic50 = 0.3 uM X26 C37 H48 N8 O3 CC(C)Oc1cc....
214 6CKR ic50 = 0.05 uM F5V C21 H20 N4 O3 S Cn1cc(cn1)....
215 4UIZ ic50 = 0.00001995 M N1D C22 H25 N3 O6 S2 CN1C=C(c2c....
216 5KJ0 ic50 = 130 nM 6TB C29 H41 N7 O3 CC[C@@H]1C....
217 4KV1 - THR PHE ALY SER ILE MET LYS n/a n/a
218 5EGU Kd = 1.4 uM 5NQ C23 H32 N8 O2 S CCCCc1c(nc....
219 5Y8Z ic50 = 0.62 uM 8Q3 C16 H15 Br N2 O4 S Cc1cc2c(cc....
220 6VUB ic50 = 629 uM RLG C11 H13 N O CN1C[C@H](....
221 4BW3 ic50 = 501 nM 9BM C25 H26 N4 O4 Cc1c(c(on1....
222 3U5K - 08J C18 H13 Cl F N3 Cc1ncc2n1-....
223 6FGH - 6RZ C10 H16 N2 O2 S Cc1c(cccn1....
224 6FG6 - D8Q C9 H13 N3 O2 CN1C=C(C=C....
225 6FGG Kd = 17 uM D9B C18 H20 N4 O4 CN1C=C(C=C....
226 5MGJ Kd = 51 uM 7MX C9 H10 Cl N O3 CCOC(=O)C1....
227 6FGV - D9T C14 H21 N3 O2 CN1C=C(C=C....
228 6FGL ic50 = 24 uM UO1 C19 H18 N2 O3 Cc1ccc(cc1....
229 5OR8 - JR4 C17 H18 F N3 O3 S Cc1cc2c(cc....
230 5FE0 - ALY C8 H16 N2 O3 CC(=O)NCCC....
231 5LVR Kd = 250 uM 78Y C10 H10 N4 O Cc1c(nn(n1....
232 5FDZ Kd = 6.8 uM 5X0 C21 H24 N2 O5 CNC(=O)c1c....
233 5FE1 - 12Q C10 H9 N O CN1c2ccccc....
234 5FE6 Kd = 6910 uM 5WZ C9 H16 N2 O C1CC1C(=O)....
235 5FE2 - 5WV C9 H9 N O CN1Cc2cccc....
236 5FE7 Kd = 488 uM 5WU C10 H14 N2 O2 Cc1c2c(n(n....
237 5FE8 - 5WT C13 H14 N2 O2 CC1=CC(=O)....
238 5FE4 - 5WY C9 H9 N O3 c1cc(c2c(c....
239 5FE9 Kd = 20.98 uM 5WS C12 H14 N2 O3 S CC1=CC(=O)....
240 5FE5 - 2QC C9 H9 N3 S c1cc(ccc1C....
241 5MKX ic50 = 20 uM 82I C6 H8 Cl N3 O CNC1=C(C(=....
242 5LVQ Kd = 73 uM 2LX C13 H17 N O3 CNC(=O)c1c....
243 5FE3 - 5WX C8 H8 N2 O2 COc1cccc2c....
244 6C7Q - EO1 C25 H23 N7 O2 Cc1c(c(on1....
245 2YEM ic50 = 15.5 nM WSH C25 H21 N5 O2 Cc1nnc2n1-....
246 5JWM ic50 = 3.09 nM 6ON C54 H66 Cl2 N10 O9 S2 Cc1c(sc-2c....
247 5UOO Ki = 1.4 nM 8FV C26 H21 N5 O2 Cc1c(c(on1....
248 3QZS Kd = 99 uM LYS GLY GLY ALA ALY ARG HIS ARG LYS VAL n/a n/a
249 3QZT - LYS GLY GLY ALA ALY ARG HIS ARG LYS VAL n/a n/a
250 5U6V ic50 = 21 nM 7WY C22 H19 Cl N6 Cc1c-2n(nn....
251 5O3A - 31P C23 H23 Cl N4 O3 CC[C@H]([C....
252 5DFD - 59E C23 H21 N5 O3 Cc1nnc2n1-....
253 5XHK - LDR C13 H9 N O c1ccc2c(c1....
254 5O3D - 9J5 C23 H23 Cl N4 O3 CC[C@H]([C....
255 6YTM Kd = 65 nM PMW C22 H25 Cl N4 O2 S CC[C@H]([C....
256 6VIY Ki = 1.1 nM QYY C27 H29 N3 O5 S CCNC(=O)c1....
257 5IG6 Kd = 213.7 uM 6B3 C27 H18 N2 O4 c1ccc2c(c1....
258 5O3G - 9J8 C25 H26 Cl N5 O2 CCNC(=O)[C....
259 4J1P Kd = 0.206 uM 1K0 C20 H22 N2 O5 Cc1cc(cc(c....
260 5O3I - 9HN C27 H29 Cl N4 O3 Cc1nnc2n1-....
261 5UEW - 87D C20 H20 N2 O5 S CN1C=C(C(=....
262 5O3B - 9HZ C24 H23 Cl N4 O3 Cc1nnc2n1-....
263 5O3E - 9HW C23 H24 Cl N5 O2 CCNC(=O)[C....
264 3ONI - JQ1 C23 H26 Cl N4 O2 S Cc1c(sc-2c....
265 6K04 Ki = 3.1 nM CQF C22 H21 Cl N6 Cc1nnc2n1-....
266 5O39 - 31O C22 H21 Cl N4 O3 Cc1nnc2n1-....
267 5O3H - 9HQ C23 H24 Cl N5 O2 CCNC(=O)[C....
268 5O3C - 9J2 C22 H21 Cl N4 O3 Cc1nnc2n1-....
269 4MR6 - 1K0 C20 H22 N2 O5 Cc1cc(cc(c....
270 6MOA Kd = 2.5 nM JW4 C25 H22 N4 O Cc1ccc2c(c....
271 5DW1 ic50 = 0.08 uM 5GD C24 H29 N3 O4 Cc1cc(cc(c....
272 5DFC - EAM C22 H22 Cl N5 O2 CCNC(=O)C[....
273 4MR5 - 1K0 C20 H22 N2 O5 Cc1cc(cc(c....
274 5O3F - 9HT C24 H26 Cl N5 O2 CC[C@H]([C....
275 2WP1 - LYS ALA PRO ARG ALY GLN LEU ALA THR LYS n/a n/a
276 4FLP Kd = 190.1 nM JQ1 C23 H26 Cl N4 O2 S Cc1c(sc-2c....
277 4KCX Kd = 37 uM 1QK C21 H29 N6 O2 CCc1cnn2c1....
278 4A9I - P9I C15 H13 N2 O C/C(=C/1C=....
279 4UYH ic50 = 0.00000001 M 9S3 C30 H35 N3 O C[C@H]1C[C....
280 4A9H - TVP C12 H15 N O C[C@H]1CCc....
281 4A9F - MB3 C5 H9 N O CN1CCCC1=O
282 4ALG ic50 = 0.5 uM 1GH C23 H21 N5 O3 Cc1c(c(on1....
283 2YEK ic50 = 32.5 nM EAM C22 H22 Cl N5 O2 CCNC(=O)C[....
284 2YDW Kd = 46 nM WSH C25 H21 N5 O2 Cc1nnc2n1-....
285 4A9J - TYL C8 H9 N O2 CC(=O)Nc1c....
286 4A9M ic50 = 0.5 uM P9M C17 H22 N2 O3 S Cc1ccc(cc1....
287 4ALH - A9P C11 H11 N O Cc1c(c(on1....
288 4A9E - 3PF C9 H10 N2 O CN1Cc2cccc....
289 4A9O - A9O C12 H13 N O CCc1c(c(no....
290 4AKN ic50 = 0.79 uM S5B C25 H25 N3 O3 Cc1c(c(on1....
291 4A9N ic50 = 1.5 uM A9N C15 H16 N2 O3 S Cc1ccc(cc1....
292 4KV4 - THR PHE ALY SER ILE MET LYS n/a n/a
293 5UEZ Ki = 970 nM 89G C18 H16 N2 O3 CN1C(=O)C=....
294 6VIX Ki = 1.3 nM QYV C24 H21 F2 N3 O5 S CCNC(=O)c1....
295 5UF0 Ki = 160 uM 89J C12 H13 N3 O CNC1=CC(=O....
296 5UEU - 0S6 C20 H19 Cl N4 O2 S Cc1c(sc-2c....
297 4Z93 Kd = 44.6 nM 4LD C24 H23 N5 O2 Cc1c(c(n[n....
298 5UEY Ki = 5.1 nM 88M C22 H24 F2 N2 O5 S CCOC1=CC(=....
299 5UEX Ki = 1.5 nM 89D C24 H26 F2 N2 O5 S CCS(Nc1ccc....
300 5I8B ic50 = 0.11 uM 69F C23 H22 N2 O2 C[C@@H]1CC....
301 5I8G Kd = 0.03 uM 69E C22 H22 N6 O C[C@@H]1CC....
302 5N18 Kd = 2.1 uM 8HZ C21 H19 N3 O Cc1ccc(cc1....
303 5MLJ Ki = 1.4 nM 9ST C17 H21 Br N4 O CN1C[C@H](....
304 6J3P Kd = 105 nM B8O C21 H25 N5 O3 CN1C[C@H](....
305 6AXQ ic50 = 99000 nM C2Y C10 H9 N O2 COC(=O)c1c....
306 5DBM Kd = 0.35 uM 58N C17 H22 N4 O C[C@@H]1CC....
307 5LPM Kd = 2.77 uM 71Y C20 H23 Cl N2 O3 CCc1c(c([n....
308 5NRW - 96N C21 H22 N2 O2 CCc1c(c([n....
309 3P1D - MB3 C5 H9 N O CN1CCCC1=O
310 5LPJ Kd = 10.1 uM XDM C17 H19 Cl N2 O2 CCc1c(c([n....
311 6FQO ic50 = 0.14 uM E2T C26 H24 N2 O6 CCOc1ccc(c....
312 4TQN Kd = 0.77 uM UL4 C18 H17 N O5 CCOc1ccc(c....
313 6FRF ic50 = 0.04 uM E3T C26 H24 N2 O5 CCOc1ccc(c....
314 5TB6 Kd = 1.53 uM 77X C15 H17 N3 O CCC(=O)N1C....
315 5MQK - QPR C11 H11 N O CC(=O)c1cn....
316 5MQG - F31 C9 H11 N O2 CC(=O)c1cc....
317 5I83 ic50 = 4.1 uM 68Y C18 H20 N2 O2 C[C@@H]1CC....
318 4A9K - TYL C8 H9 N O2 CC(=O)Nc1c....
319 5I86 ic50 = 0.53 uM 69A C18 H19 N3 O2 C[C@@H]1CC....
320 6FR0 ic50 = 0.146 uM E3H C27 H26 N2 O6 CCN1C(=O)C....
321 5NU5 Kd = 0.47 uM 99E C21 H22 N2 O4 CCc1c(c([n....
322 5LPK Kd = 3.06 uM XDM C17 H19 Cl N2 O2 CCc1c(c([n....
323 5MME Kd = 1.4 uM 8Q6 C20 H21 N O6 CCOc1ccc(c....
324 5I89 ic50 = 0.033 uM 69B C21 H22 N4 O C[C@@H]1CC....
325 5NU3 Kd = 0.23 uM 99E C21 H22 N2 O4 CCc1c(c([n....
326 5OWK - 7MX C9 H10 Cl N O3 CCOC(=O)C1....
327 6AY5 ic50 = 69 nM C3V C22 H20 F2 N4 O S Cn1cc(cn1)....
328 5LPL Kd = 12 uM 71X C20 H23 Cl N2 O3 CCc1c(c([n....
329 6FQU ic50 = 2.2 uM E3B C21 H23 F2 N O2 CCOc1ccc(c....
330 6DMK - 2LL C26 H30 N4 O2 Cc1c(c(on1....
331 5MMG Kd = 0.97 uM UT0 C19 H20 N2 O4 S CCOc1ccc(c....
332 5MPN Kd = 0.085 uM YE5 C17 H16 N4 O2 CCOc1ccc(c....
333 5J0D Kd = 134 nM 6F9 C27 H35 N3 O5 CCC(=O)N1C....
334 6AY3 ic50 = 9.5 nM C3J C24 H23 F2 N5 O CNC(=O)c1c....
335 5MPK Kd = 0.003 uM 0BC C21 H18 N6 O3 S CCOc1ccc(c....
336 5CGP Kd = 0.12 uM 53W C27 H32 N4 O3 Cc1c(c(on1....
337 4BJX ic50 = 22 nM 73B C25 H23 Cl N2 O3 C[C@H]1C[C....
338 4UYD ic50 = 79.4 uM V1T C10 H11 N3 O2 CN1c2ccc(c....
339 4XUB ic50 = 1.07 uM 43D C19 H18 N8 Cc1cn(nn1)....
340 4XUA ic50 = 26 uM 43C C21 H18 N6 Cc1cn(nn1)....
341 5MGF Kd = 54 uM 7MW C9 H11 N O3 CCC(=O)c1c....
342 5E9I - F60 C8 H7 N O c1cc(cc2c1....
343 6FGT - D9T C14 H21 N3 O2 CN1C=C(C=C....
344 4NRB ic50 = 38 uM 2LX C13 H17 N O3 CNC(=O)c1c....
345 6FH6 - D8Q C9 H13 N3 O2 CN1C=C(C=C....
346 5MGG - 7MU C7 H7 Cl N2 O CNC(=O)c1c....
347 5ORB - JR6 C16 H19 N3 O2 S Cn1c(c2c(n....
348 4NRC ic50 = 241 uM 2LY C8 H9 N O3 S CNC(=O)c1c....
349 6FH7 - EN2 C17 H18 F N3 O3 CN1C=C(C=C....
350 5E9K - 5KX C3 H3 Cl N2 c1cnc([nH]....
351 4NRA Kd = 65 uM 2LW C13 H13 Cl N2 O CC(=O)N1CC....
352 5MGE Kd = 87 uM 7MX C9 H10 Cl N O3 CCOC(=O)C1....
353 4NR9 - ALY C8 H16 N2 O3 CC(=O)NCCC....
354 5E9L - 6AI C7 H7 N3 c1cc2cn[nH....
355 5OR9 ic50 = 88 uM JR5 C18 H21 F N4 O3 S Cn1c(c2c(n....
356 5E74 Kd = 39 uM 5KH C25 H19 F3 N2 O3 Cc1ccc(cc1....
357 5E9M - BAE C6 H13 N O CC(C)(C)C(....
358 6FGU - D9Q C13 H19 N3 O2 CN1C=C(C=C....
359 5DYX - ADE C5 H5 N5 c1[nH]c2c(....
360 5DYU - MZ0 C4 H6 N2 O c1c([nH]cn....
361 5E73 Kd = 23 uM UO1 C19 H18 N2 O3 Cc1ccc(cc1....
362 7K6R - 9ST C17 H21 Br N4 O CN1C[C@H](....
363 7KDW - WCV C20 H21 N5 O C#CCNc1ncc....
364 7KDZ - WCS C22 H30 N6 O3 S CN(C)CCCOc....
365 7K6S - VYM C13 H16 N2 O c1cc2c(cc1....
366 5A7C ic50 = 0.00018 M 5D4 C10 H20 N2 O2 CC(=O)NCCC....
367 5TPX Kd = 280 nM 7H7 C21 H24 N6 Cc1nnc2n1n....
368 6MO8 - JWD C19 H17 N3 O2 Cc1c(c(on1....
369 6ONY - HWV C28 H30 F N3 O4 CCNC(=O)c1....
370 6JKE - BUX C13 H6 Cl2 N2 O4 c1cc(cc(c1....
371 6MO7 - JWA C19 H25 N3 O4 S Cc1ccc(cc1....
372 6MO9 - JVY C19 H21 N3 O3 S Cc1c(c(on1....
373 3AQA - BYH C17 H16 N4 S2 CN1c2ccccc....
374 6K05 Ki = 95.5 nM CQF C22 H21 Cl N6 Cc1nnc2n1-....
375 5WUU ic50 = 0.81 uM 7UU C18 H18 N2 O3 S CN(CCCNC1=....
376 5N17 Kd = 4.8 uM 8FK C19 H18 N2 O3 S CN1c2ccc(c....
377 5N16 Kd = 5 uM 8FN C22 H15 N5 O2 S c1ccc2c(c1....
378 6VIZ Ki = 120 nM QYY C27 H29 N3 O5 S CCNC(=O)c1....
379 6VIW Ki = 21.6 nM QYV C24 H21 F2 N3 O5 S CCNC(=O)c1....
380 5XXH ic50 = 6.8 uM E0D C18 H20 N2 O4 CC(=O)c1cn....
381 5ML0 - P2L C11 H17 Cl N4 O CN1CCC[C@H....
382 5W0L ic50 = 1.1 nM 9UD C27 H32 F2 N6 O2 CC(=O)N1CC....
383 5W0F ic50 = 16 nM 9U7 C25 H30 N6 O2 CC(=O)N1CC....
384 5W0E ic50 = 0.94 nM 9U4 C27 H33 F2 N7 O2 CNC(=O)N1C....
385 5W0Q ic50 = 18 uM 9UG C12 H16 N2 O2 Cc1ccc2c(c....
386 5W0I ic50 = 1.4 nM 9UA C26 H30 F2 N6 O2 CC(=O)N1CC....
387 5VOM ic50 = 0.79 uM 9GY C24 H23 N3 O4 C[C@H]1CN(....
388 2RI7 - ALA ARG THR MLY GLN THR ALA ARG LYS n/a n/a
389 6J3O Kd = 2.4 uM B4L C13 H19 N5 O CN1CCC[C@H....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: C2Y; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 C2Y 1 1
2 5RN 0.604651 0.76
3 ICO 0.568182 0.777778
4 5ER 0.462963 0.6
5 0FR 0.454545 0.678571
6 92P 0.425926 0.827586
7 TR7 0.40678 0.657143
8 4ME 0.403846 0.958333
Similar Ligands (3D)
Ligand no: 1; Ligand: C2Y; Similar ligands found: 1331
No: Ligand Similarity coefficient
1 2LY 0.9871
2 M4E 0.9857
3 1QP 0.9721
4 M2K 0.9710
5 M5H 0.9662
6 M6Z 0.9655
7 TSS 0.9650
8 30G 0.9643
9 15N 0.9619
10 0JD 0.9608
11 3NY 0.9603
12 6NT 0.9595
13 IAC 0.9592
14 8GK 0.9588
15 PEY 0.9571
16 DNF 0.9565
17 8XL 0.9561
18 E1T 0.9557
19 2HU 0.9555
20 1F1 0.9546
21 PDC 0.9546
22 J9Q 0.9542
23 TSR 0.9532
24 CH9 0.9530
25 28N 0.9529
26 2ZM 0.9527
27 8ZE 0.9526
28 0HN 0.9525
29 5NI 0.9525
30 9CA 0.9523
31 Q6T 0.9521
32 QPR 0.9520
33 5WY 0.9519
34 6NI 0.9518
35 KYA 0.9516
36 9FL 0.9516
37 0HO 0.9515
38 3A9 0.9510
39 NVU 0.9501
40 HA5 0.9499
41 JAW 0.9498
42 5RO 0.9497
43 DRG 0.9495
44 PD2 0.9493
45 9UL 0.9491
46 GO2 0.9491
47 ZYR 0.9483
48 ABI 0.9481
49 APS 0.9481
50 1IT 0.9477
51 C9E 0.9476
52 4TU 0.9476
53 KDV 0.9474
54 6KT 0.9472
55 F12 0.9471
56 SRO 0.9467
57 AKH 0.9463
58 VXX 0.9459
59 97T 0.9456
60 42C 0.9455
61 92K 0.9454
62 ARP 0.9453
63 4NC 0.9451
64 7ZE 0.9446
65 8HC 0.9439
66 JDN 0.9438
67 0F9 0.9435
68 5OB 0.9434
69 Z5P 0.9432
70 7FF 0.9429
71 NID 0.9429
72 BZ3 0.9429
73 BQ2 0.9428
74 1A7 0.9428
75 LNR 0.9428
76 TRP 0.9426
77 LDR 0.9426
78 9ZE 0.9426
79 BK9 0.9424
80 I3A 0.9420
81 EA1 0.9420
82 0FK 0.9411
83 JB8 0.9409
84 8G0 0.9405
85 TTY 0.9403
86 N8Y 0.9397
87 SLS 0.9393
88 SHA 0.9390
89 9AP 0.9384
90 ONR 0.9382
91 ODO 0.9381
92 6BL 0.9379
93 GJP 0.9379
94 BDP 0.9378
95 BGC 0.9378
96 INE 0.9375
97 2ZQ 0.9370
98 2FY 0.9369
99 N2I 0.9368
100 9R5 0.9368
101 HQD 0.9366
102 6VD 0.9363
103 DEW 0.9361
104 LDP 0.9361
105 F31 0.9361
106 GTQ 0.9361
107 9FE 0.9359
108 IOS 0.9356
109 15L 0.9355
110 0N7 0.9353
111 5VL 0.9353
112 INO 0.9352
113 OW7 0.9351
114 0LH 0.9350
115 DNC 0.9349
116 MQB 0.9348
117 7VS 0.9348
118 XX2 0.9346
119 VNL 0.9345
120 UAN 0.9344
121 GDE 0.9340
122 ANF 0.9338
123 PH2 0.9334
124 7MX 0.9333
125 AA 0.9332
126 L99 0.9331
127 3IT 0.9330
128 M0W 0.9327
129 RM1 0.9325
130 4KL 0.9324
131 MR1 0.9324
132 X8D 0.9323
133 7NI 0.9319
134 GZL 0.9319
135 J9T 0.9318
136 GV9 0.9315
137 MS9 0.9315
138 7HQ 0.9313
139 5XC 0.9313
140 RD4 0.9312
141 5NE 0.9310
142 CWS 0.9309
143 BCU 0.9303
144 NNO 0.9302
145 HLZ 0.9301
146 OVM 0.9301
147 E7Z 0.9301
148 2HC 0.9298
149 4MU 0.9296
150 JLZ 0.9296
151 J6W 0.9296
152 XAZ 0.9293
153 2HO 0.9291
154 FHB 0.9290
155 3MB 0.9289
156 KUF 0.9288
157 PJW 0.9288
158 091 0.9288
159 CHB 0.9287
160 52C 0.9286
161 1HN 0.9286
162 DHB 0.9285
163 FE DB1 0.9282
164 3PF 0.9281
165 6ME 0.9281
166 2FQ 0.9280
167 54X 0.9279
168 MYJ 0.9278
169 12Q 0.9278
170 LL1 0.9278
171 RXA 0.9277
172 LZM 0.9276
173 TTL 0.9276
174 DNA 0.9276
175 BEA 0.9275
176 5RG 0.9275
177 OW4 0.9272
178 GCU 0.9272
179 363 0.9272
180 SKA 0.9269
181 42A 0.9268
182 M1H 0.9268
183 2EC 0.9266
184 BPU 0.9264
185 0FO 0.9264
186 173 0.9263
187 FA0 0.9263
188 7WR 0.9262
189 JG8 0.9261
190 27B 0.9261
191 4A3 0.9260
192 7MU 0.9260
193 7ME 0.9259
194 NLA 0.9259
195 MHK 0.9258
196 069 0.9256
197 QMS 0.9255
198 AZ9 0.9255
199 64C 0.9253
200 X0U 0.9253
201 THA 0.9251
202 0GZ 0.9250
203 DQU 0.9250
204 FUD 0.9249
205 F9Y 0.9249
206 93K 0.9247
207 N1E 0.9246
208 JXW 0.9245
209 6DP 0.9244
210 6TZ 0.9244
211 BB4 0.9243
212 HLD 0.9242
213 XHP 0.9242
214 NQ 0.9241
215 3Z8 0.9239
216 3HM 0.9239
217 BZJ 0.9237
218 VK3 0.9237
219 61M 0.9235
220 5QY 0.9235
221 HQT 0.9233
222 7W1 0.9233
223 FBB 0.9233
224 MVN 0.9232
225 SKM 0.9231
226 JR2 0.9230
227 IV2 0.9230
228 B62 0.9230
229 TYL 0.9227
230 P9P 0.9226
231 BZ2 0.9226
232 DOB 0.9225
233 MAJ 0.9224
234 D48 0.9223
235 K2T 0.9223
236 44W 0.9222
237 GCB 0.9221
238 226 0.9221
239 2AL 0.9221
240 9TW 0.9219
241 SKF 0.9219
242 E7S 0.9219
243 45L 0.9217
244 MUA 0.9217
245 94W 0.9217
246 BPY 0.9217
247 209 0.9217
248 8WT 0.9216
249 54G 0.9215
250 HQJ 0.9214
251 BHA 0.9213
252 EVA 0.9212
253 ZME 0.9211
254 A7H 0.9210
255 GLC 0.9210
256 ZON 0.9209
257 AJY 0.9209
258 0P6 0.9208
259 5CU 0.9206
260 URC 0.9206
261 DBJ 0.9205
262 4Z4 0.9205
263 M1E 0.9204
264 8S0 0.9204
265 FLV 0.9203
266 MQN 0.9201
267 J9W 0.9200
268 1AL 0.9200
269 5M0 0.9200
270 EWG 0.9200
271 AN3 0.9200
272 5NU 0.9199
273 3DO 0.9199
274 TOF 0.9199
275 E1P 0.9199
276 OTW 0.9199
277 KJU 0.9198
278 AY4 0.9197
279 2SX 0.9196
280 ICB 0.9196
281 5NS 0.9194
282 2O6 0.9194
283 8TX 0.9194
284 N2Z 0.9194
285 2BG 0.9190
286 CN0 0.9186
287 4RU 0.9186
288 G3F 0.9186
289 GCS 0.9185
290 39O 0.9185
291 4HC 0.9184
292 9BF 0.9184
293 G3E 0.9183
294 1VK 0.9183
295 3F0 0.9182
296 4I8 0.9178
297 AQO 0.9177
298 4M0 0.9175
299 3R6 0.9174
300 6CS 0.9174
301 MRW 0.9173
302 6RQ 0.9172
303 9TZ 0.9168
304 2KA 0.9167
305 AJ2 0.9167
306 EOL 0.9166
307 DHK 0.9166
308 8XQ 0.9166
309 SE2 0.9165
310 R20 0.9165
311 2HQ 0.9164
312 APZ 0.9163
313 8CM 0.9162
314 53C 0.9162
315 XIY 0.9161
316 MEW 0.9160
317 PXL 0.9160
318 ZZ8 0.9159
319 EN1 0.9159
320 0XT 0.9158
321 GAB 0.9158
322 3HA 0.9158
323 PRZ 0.9157
324 5QX 0.9157
325 XFE 0.9156
326 3HB 0.9156
327 TT4 0.9156
328 H5B 0.9156
329 M1Q 0.9155
330 B55 0.9154
331 36M 0.9153
332 86J 0.9153
333 DHY 0.9153
334 QSB 0.9152
335 37T 0.9152
336 68A 0.9152
337 DBH 0.9151
338 CFF 0.9151
339 OVP 0.9150
340 44V 0.9150
341 VM1 0.9150
342 JND 0.9149
343 8WO 0.9148
344 PYQ 0.9147
345 XQG 0.9146
346 2K8 0.9146
347 LZ2 0.9145
348 IHB 0.9145
349 AZ8 0.9144
350 4AA 0.9142
351 15E 0.9142
352 PBA 0.9142
353 3NT 0.9140
354 CKA 0.9139
355 OVV 0.9139
356 M5K 0.9138
357 ESP 0.9138
358 AJV 0.9137
359 UNC 0.9136
360 4JQ 0.9136
361 MSR 0.9135
362 KBB 0.9134
363 FGZ 0.9133
364 DIN 0.9133
365 FDR 0.9133
366 23J 0.9133
367 ET2 0.9133
368 GTR 0.9132
369 Q24 0.9130
370 LT2 0.9130
371 4CS 0.9130
372 S0E 0.9130
373 H42 0.9129
374 1M2 0.9128
375 75K 0.9127
376 M6N 0.9126
377 ALE 0.9126
378 4SX 0.9123
379 UFO 0.9123
380 3J8 0.9123
381 CWJ 0.9122
382 ESI 0.9122
383 BTY 0.9122
384 KJH 0.9121
385 6QF 0.9121
386 5JL 0.9121
387 CTL 0.9119
388 GNM 0.9119
389 1P7 0.9118
390 HNQ 0.9117
391 HBO 0.9116
392 ANC 0.9116
393 ESX 0.9115
394 67Y 0.9114
395 0TU 0.9114
396 3C4 0.9113
397 3IL 0.9112
398 LGC 0.9111
399 ES5 0.9111
400 M0Q 0.9110
401 QSH 0.9110
402 03V 0.9109
403 4FS 0.9109
404 ES2 0.9109
405 VGD 0.9109
406 H7Y 0.9108
407 3AB 0.9108
408 NPA 0.9108
409 4AV 0.9107
410 OMD 0.9107
411 PE0 0.9107
412 L5V 0.9107
413 A29 0.9106
414 5MK 0.9106
415 I59 0.9106
416 M3Q 0.9105
417 4BL 0.9103
418 0W8 0.9102
419 JZA 0.9102
420 5GU 0.9100
421 W81 0.9100
422 J5I 0.9099
423 OGA 0.9099
424 4V2 0.9098
425 2F6 0.9097
426 FWD 0.9096
427 JF2 0.9096
428 COU 0.9096
429 KTW 0.9096
430 I6G 0.9095
431 A7W 0.9095
432 OCH 0.9094
433 5V7 0.9093
434 4BZ 0.9093
435 9MG 0.9092
436 ASC 0.9091
437 2AQ 0.9091
438 4HM 0.9091
439 TXW 0.9091
440 QX4 0.9090
441 GCW 0.9088
442 0FN 0.9086
443 K97 0.9086
444 293 0.9085
445 GAL 0.9084
446 PQ0 0.9084
447 8OZ 0.9084
448 SQV 0.9084
449 PQK 0.9083
450 8W9 0.9083
451 FOT 0.9082
452 IPB 0.9081
453 SX1 0.9079
454 EKZ 0.9076
455 PHE 0.9076
456 6FZ 0.9075
457 8GC 0.9075
458 9KT 0.9074
459 6J9 0.9072
460 428 0.9072
461 8IG 0.9071
462 36R 0.9071
463 CTS 0.9070
464 5JQ 0.9070
465 7O4 0.9070
466 5VM 0.9070
467 4YO 0.9069
468 60Q 0.9067
469 28S 0.9067
470 R9Y 0.9067
471 1P8 0.9067
472 67X 0.9066
473 M5E 0.9066
474 NDH 0.9065
475 PRF 0.9065
476 SYA 0.9064
477 TIU 0.9064
478 ZZZ 0.9064
479 1L5 0.9063
480 H4E 0.9061
481 HHR 0.9060
482 TWO 0.9059
483 7I2 0.9058
484 3M0 0.9058
485 PH3 0.9057
486 TQU 0.9057
487 8MO 0.9057
488 5XB 0.9055
489 NAG 0.9055
490 5TY 0.9055
491 ROI 0.9054
492 G5V 0.9054
493 Q02 0.9054
494 6R8 0.9053
495 EGR 0.9053
496 ORO 0.9053
497 H33 0.9052
498 LEL 0.9051
499 X0V 0.9051
500 PNZ 0.9050
501 ICT 0.9049
502 MNP 0.9049
503 PFL 0.9048
504 JXZ 0.9047
505 KTJ 0.9047
506 SAL 0.9046
507 M78 0.9042
508 V1T 0.9042
509 4BY 0.9042
510 5B1 0.9041
511 344 0.9041
512 ATX 0.9040
513 I2E 0.9040
514 BNF 0.9039
515 B41 0.9038
516 TIY 0.9038
517 22L 0.9038
518 NOJ 0.9037
519 SNU 0.9037
520 505 0.9036
521 TVP 0.9036
522 B60 0.9036
523 3AL 0.9036
524 X05 0.9035
525 DIE 0.9035
526 LI6 0.9035
527 LT8 0.9034
528 42J 0.9034
529 CWD 0.9033
530 IOP 0.9033
531 PPY 0.9033
532 AH8 0.9031
533 CLW 0.9031
534 YZM 0.9030
535 261 0.9030
536 ZXD 0.9029
537 1WC 0.9029
538 IJZ 0.9028
539 WCE 0.9028
540 AIN 0.9027
541 TYR 0.9027
542 DTR 0.9026
543 DRL 0.9026
544 5F5 0.9026
545 BE2 0.9026
546 3MG 0.9025
547 M1A 0.9025
548 GLT 0.9024
549 AOS 0.9023
550 6HO 0.9023
551 NDG 0.9023
552 N91 0.9022
553 OA3 0.9021
554 5WU 0.9021
555 DPT 0.9021
556 3OC 0.9021
557 OA1 0.9020
558 M45 0.9020
559 DBX 0.9020
560 SVD 0.9019
561 X09 0.9019
562 2LP 0.9019
563 DPZ 0.9018
564 JXK 0.9017
565 OTD 0.9017
566 HHS 0.9017
567 GZ2 0.9017
568 CXH 0.9017
569 R8V 0.9016
570 4JT 0.9015
571 4FA 0.9014
572 XX3 0.9013
573 HC4 0.9013
574 2D0 0.9013
575 57O 0.9013
576 8U3 0.9012
577 P7Y 0.9012
578 4P5 0.9012
579 8NX 0.9012
580 3VW 0.9012
581 EYK 0.9011
582 AMR 0.9011
583 NTZ 0.9011
584 HHA 0.9010
585 MD6 0.9009
586 XQ0 0.9009
587 QUS 0.9007
588 FTV 0.9007
589 X11 0.9007
590 4XV 0.9006
591 5HN 0.9006
592 2AK 0.9006
593 PIM 0.9006
594 KBG 0.9005
595 BWD 0.9005
596 JP2 0.9005
597 4M4 0.9005
598 K3Q 0.9005
599 MB1 0.9004
600 AZM 0.9004
601 EUG 0.9004
602 NFM 0.9003
603 QIC 0.9003
604 NCD 0.9003
605 5OF 0.9003
606 67N 0.9002
607 XAN 0.9002
608 GLO 0.9002
609 3VX 0.9001
610 CLZ 0.9001
611 ANN 0.9001
612 AHN 0.9000
613 1KP 0.9000
614 G2F 0.8999
615 MO8 0.8998
616 GF4 0.8998
617 F4E 0.8997
618 HJP 0.8997
619 0BP 0.8997
620 E5X 0.8996
621 X48 0.8996
622 3BU 0.8995
623 4FH 0.8995
624 OXC 0.8994
625 4WL 0.8994
626 5WV 0.8994
627 DHC 0.8994
628 9UG 0.8993
629 SHG 0.8993
630 XDE 0.8993
631 C2U 0.8993
632 3BZ 0.8992
633 FP1 0.8991
634 7B3 0.8990
635 55D 0.8989
636 BRT 0.8989
637 R8S 0.8987
638 46P 0.8987
639 ASO 0.8985
640 JTH 0.8985
641 2GQ 0.8984
642 5VJ 0.8983
643 D07 0.8983
644 XQK 0.8982
645 ISN 0.8982
646 VYM 0.8980
647 SOR 0.8979
648 XYL 0.8979
649 KT7 0.8979
650 N7I 0.8979
651 SBK 0.8978
652 7MW 0.8978
653 TZM 0.8978
654 EYV 0.8976
655 4OG 0.8975
656 AEH 0.8975
657 KKN 0.8974
658 TGX 0.8974
659 FHC 0.8973
660 GVG 0.8972
661 V55 0.8971
662 L22 0.8970
663 DHS 0.8970
664 3QV 0.8970
665 MMS 0.8969
666 RVE 0.8969
667 SYE 0.8968
668 ES7 0.8968
669 7CT 0.8967
670 NOY 0.8967
671 DX3 0.8967
672 W8G 0.8964
673 GOX 0.8964
674 CPZ 0.8963
675 GO8 0.8961
676 ZIQ 0.8961
677 G12 0.8961
678 5WX 0.8961
679 UFV 0.8961
680 HJH 0.8960
681 GYE 0.8960
682 JU2 0.8960
683 AKG 0.8960
684 JKZ 0.8959
685 I3E 0.8959
686 4SV 0.8959
687 YSO 0.8959
688 N0Z 0.8959
689 DDU 0.8958
690 NIZ 0.8958
691 3ZB 0.8958
692 M5N 0.8957
693 PIY 0.8956
694 IWD 0.8955
695 QBM 0.8954
696 LKA 0.8954
697 6M4 0.8954
698 CCV 0.8953
699 AW5 0.8952
700 ES6 0.8952
701 ADA 0.8951
702 FIX 0.8951
703 AX7 0.8951
704 NSG 0.8950
705 GNL 0.8950
706 OHP 0.8949
707 EXD 0.8949
708 BZE 0.8949
709 CFA 0.8947
710 64E 0.8947
711 RMN 0.8946
712 GUN 0.8946
713 4XS 0.8945
714 QBK 0.8945
715 IWT 0.8945
716 B56 0.8944
717 GCO 0.8943
718 JFJ 0.8943
719 OQC 0.8943
720 WOO 0.8942
721 N3W 0.8941
722 BP7 0.8941
723 12T 0.8939
724 495 0.8939
725 NMJ 0.8939
726 BA5 0.8939
727 TLM 0.8939
728 PX7 0.8938
729 1LQ 0.8936
730 6XI 0.8936
731 TCA 0.8936
732 LPK 0.8935
733 MAQ 0.8935
734 A5H 0.8934
735 ALL 0.8933
736 PO6 0.8932
737 LAO 0.8932
738 3YP 0.8932
739 7MK 0.8931
740 329 0.8930
741 CK2 0.8930
742 9DG 0.8930
743 3R4 0.8930
744 AX3 0.8929
745 SAF 0.8928
746 UNJ 0.8928
747 1X7 0.8927
748 AZA 0.8926
749 8VN 0.8925
750 34D 0.8925
751 PHU 0.8925
752 DIU 0.8925
753 6FB 0.8922
754 CKU 0.8921
755 HDH 0.8921
756 YH7 0.8921
757 Q71 0.8921
758 BNL 0.8921
759 IFP 0.8920
760 JF1 0.8920
761 DEE 0.8919
762 HIS 0.8919
763 HX4 0.8919
764 NGW 0.8918
765 NGT 0.8918
766 KMY 0.8918
767 JXN 0.8917
768 5TZ 0.8916
769 IGA 0.8916
770 GC2 0.8916
771 A5E 0.8916
772 EV3 0.8915
773 TEP 0.8915
774 JYT 0.8914
775 STX 0.8914
776 DHQ 0.8914
777 HH8 0.8913
778 Q88 0.8913
779 BZQ 0.8913
780 FXH 0.8912
781 FDB 0.8912
782 1NP 0.8912
783 KOJ 0.8911
784 II4 0.8910
785 E35 0.8910
786 2JK 0.8910
787 DOR 0.8910
788 EMZ 0.8910
789 FB1 0.8908
790 3DM 0.8908
791 4A5 0.8907
792 M1Z 0.8907
793 K5W 0.8907
794 1P3 0.8906
795 A2F 0.8906
796 6M9 0.8904
797 J9N 0.8904
798 GLN 0.8904
799 S24 0.8903
800 CC5 0.8903
801 L7T 0.8903
802 XEN 0.8903
803 1SQ 0.8902
804 YTX 0.8902
805 DK1 0.8900
806 4VY 0.8900
807 MXN 0.8900
808 0W1 0.8900
809 6AP 0.8899
810 535 0.8898
811 H4B 0.8898
812 MPV 0.8898
813 PHB 0.8897
814 MS0 0.8896
815 463 0.8895
816 A13 0.8895
817 32X 0.8893
818 AP4 0.8892
819 9PY 0.8892
820 4XH 0.8892
821 KTA 0.8891
822 S8D 0.8891
823 TAG 0.8890
824 24W 0.8890
825 20J 0.8890
826 P9E 0.8889
827 7UC 0.8889
828 49O 0.8889
829 3FH 0.8889
830 ISZ 0.8889
831 EV2 0.8889
832 KGK 0.8888
833 692 0.8888
834 FBG 0.8887
835 XDK 0.8887
836 JKE 0.8887
837 4AB 0.8886
838 8NB 0.8886
839 5GT 0.8886
840 FDK 0.8885
841 3U4 0.8885
842 GOJ 0.8885
843 B57 0.8885
844 AC2 0.8885
845 NPO 0.8884
846 SYV 0.8883
847 FA3 0.8881
848 MZM 0.8881
849 141 0.8880
850 H7S 0.8880
851 GJZ 0.8880
852 PHH 0.8879
853 F0J 0.8878
854 IBM 0.8877
855 CWM 0.8877
856 JRB 0.8875
857 HQ9 0.8874
858 OTR 0.8874
859 HBD 0.8874
860 FYU 0.8873
861 JZ4 0.8873
862 BHS 0.8872
863 CFI 0.8872
864 DE5 0.8872
865 KG1 0.8871
866 D1X 0.8871
867 2HG 0.8871
868 MWP 0.8870
869 GOE 0.8869
870 PAB 0.8869
871 FBW 0.8868
872 NBG 0.8868
873 CX4 0.8868
874 4NB 0.8868
875 BHO 0.8867
876 K82 0.8867
877 DHR 0.8866
878 MIG 0.8866
879 2FG 0.8866
880 M02 0.8866
881 3TC 0.8865
882 LTT 0.8865
883 F69 0.8864
884 AZG 0.8864
885 PAC 0.8864
886 4ZA 0.8863
887 BSX 0.8863
888 4VS 0.8862
889 1XM 0.8862
890 CIY 0.8862
891 KP6 0.8862
892 NGO 0.8861
893 N5J 0.8861
894 F05 0.8861
895 I1E 0.8860
896 ABV 0.8860
897 DII 0.8859
898 LTN 0.8859
899 NYL 0.8859
900 6X9 0.8858
901 PRO GLY 0.8857
902 JUG 0.8857
903 IFL 0.8853
904 SDD 0.8853
905 LYL 0.8853
906 CIT 0.8853
907 BOA 0.8852
908 2D3 0.8851
909 KJY 0.8851
910 HZQ 0.8851
911 XXG 0.8851
912 149 0.8851
913 K68 0.8849
914 GLA 0.8849
915 DMD 0.8849
916 39U 0.8848
917 2KU 0.8848
918 AC6 0.8847
919 3ID 0.8847
920 1XA 0.8847
921 YPN 0.8846
922 JBK 0.8846
923 NCT 0.8846
924 S2G 0.8846
925 3Y7 0.8845
926 CR1 0.8844
927 DA4 0.8844
928 7AP 0.8844
929 11S 0.8844
930 TPA 0.8843
931 6GU 0.8842
932 B4O 0.8842
933 2UD 0.8842
934 HMU 0.8841
935 QX2 0.8841
936 HBI 0.8839
937 H2B 0.8839
938 MT0 0.8839
939 EUE 0.8839
940 3SU 0.8838
941 FEH 0.8838
942 826 0.8838
943 3RI 0.8837
944 G1O 0.8837
945 5LA 0.8837
946 0RW 0.8836
947 ES0 0.8834
948 HKD 0.8834
949 3HP 0.8833
950 JBH 0.8832
951 ES1 0.8830
952 1LM 0.8829
953 268 0.8828
954 JBE 0.8827
955 G4D 0.8826
956 DI6 0.8826
957 BZX 0.8825
958 HA7 0.8824
959 4MA 0.8824
960 BIK 0.8823
961 JPZ 0.8823
962 EV0 0.8823
963 8WZ 0.8822
964 1Y6 0.8822
965 DGJ 0.8821
966 36Y 0.8821
967 AMH 0.8820
968 FBV 0.8820
969 5F8 0.8820
970 IQ5 0.8819
971 5IQ 0.8817
972 5SG 0.8816
973 2H5 0.8816
974 A3M 0.8815
975 FF2 0.8815
976 SYR 0.8814
977 GRE 0.8814
978 25W 0.8812
979 HFA 0.8810
980 GCV 0.8810
981 KFH 0.8810
982 6M1 0.8810
983 1Z6 0.8810
984 4YS 0.8809
985 TCR 0.8809
986 PBZ 0.8808
987 PRY 0.8808
988 M4T 0.8808
989 XCZ 0.8807
990 XUL 0.8807
991 657 0.8804
992 61O 0.8804
993 5Q0 0.8803
994 O72 0.8803
995 PFB 0.8803
996 H4N 0.8803
997 HX3 0.8802
998 PZI 0.8802
999 KDO 0.8801
1000 XXP 0.8801
1001 FK8 0.8801
1002 U7E 0.8801
1003 G6D 0.8800
1004 E1K 0.8799
1005 CSN 0.8798
1006 DX4 0.8798
1007 78Y 0.8797
1008 258 0.8796
1009 ZHA 0.8795
1010 ETV 0.8795
1011 F9P 0.8795
1012 12B 0.8795
1013 MZB 0.8795
1014 HNT 0.8795
1015 SG2 0.8794
1016 HQY 0.8794
1017 KLK 0.8793
1018 96R 0.8793
1019 SJ5 0.8792
1020 152 0.8792
1021 5WN 0.8791
1022 RB5 0.8791
1023 5JT 0.8790
1024 FBM 0.8789
1025 BIO 0.8789
1026 AHR 0.8787
1027 GIV 0.8786
1028 CXP 0.8786
1029 1U6 0.8786
1030 1GN 0.8785
1031 FK1 0.8785
1032 SJK 0.8783
1033 DUR 0.8782
1034 O2A 0.8782
1035 HHT 0.8782
1036 G1P 0.8781
1037 MYI 0.8781
1038 2A9 0.8781
1039 9KH 0.8781
1040 EXR 0.8779
1041 B5D 0.8779
1042 FBU 0.8778
1043 Q7A 0.8777
1044 7W4 0.8777
1045 ES9 0.8776
1046 SR1 0.8776
1047 9EW 0.8776
1048 AMQ 0.8774
1049 4NM 0.8774
1050 GXY 0.8774
1051 APG 0.8774
1052 8H8 0.8774
1053 774 0.8773
1054 5H1 0.8773
1055 537 0.8772
1056 KDG 0.8771
1057 9LI 0.8770
1058 DQA 0.8770
1059 7B4 0.8770
1060 36E 0.8770
1061 MXD 0.8768
1062 2CZ 0.8768
1063 GDL 0.8768
1064 AVI 0.8766
1065 F2W 0.8766
1066 51R 0.8765
1067 MPK 0.8765
1068 UEG 0.8764
1069 F06 0.8763
1070 JBQ 0.8762
1071 HMH 0.8760
1072 259 0.8760
1073 MCY 0.8759
1074 F60 0.8759
1075 YRL 0.8759
1076 AEF 0.8758
1077 14O 0.8757
1078 717 0.8757
1079 SVN 0.8757
1080 XM0 0.8757
1081 82I 0.8756
1082 XQI 0.8756
1083 AVA 0.8755
1084 GSY 0.8752
1085 7ZC 0.8752
1086 3WA 0.8752
1087 FLC 0.8751
1088 5MB 0.8751
1089 CFP 0.8750
1090 ZVO 0.8750
1091 LSA 0.8750
1092 X0W 0.8749
1093 THM 0.8748
1094 SN4 0.8747
1095 6AI 0.8747
1096 MBG 0.8746
1097 7WV 0.8746
1098 270 0.8745
1099 96Z 0.8744
1100 ENO 0.8744
1101 1Z8 0.8744
1102 6HP 0.8744
1103 DCZ 0.8743
1104 VNJ 0.8743
1105 ZZT 0.8741
1106 7ZL 0.8741
1107 L21 0.8740
1108 RNS 0.8740
1109 EUH 0.8739
1110 KIB 0.8739
1111 JB5 0.8738
1112 2MI 0.8738
1113 HHH 0.8737
1114 YQA 0.8737
1115 TH7 0.8737
1116 0DN 0.8736
1117 EVF 0.8736
1118 REL 0.8735
1119 2K4 0.8735
1120 5MI 0.8735
1121 4ZC 0.8734
1122 J01 0.8733
1123 HPT 0.8733
1124 MT8 0.8733
1125 K6X 0.8733
1126 2UZ 0.8732
1127 GLY PRO 0.8731
1128 680 0.8729
1129 E4P 0.8728
1130 KP2 0.8728
1131 GXL 0.8727
1132 QY9 0.8727
1133 SXS 0.8726
1134 7VP 0.8725
1135 TZF 0.8725
1136 GLU 0.8725
1137 BZM 0.8724
1138 9F8 0.8724
1139 290 0.8723
1140 41K 0.8723
1141 BY5 0.8723
1142 M3H 0.8722
1143 174 0.8722
1144 JYB 0.8721
1145 4AN 0.8721
1146 SWA 0.8720
1147 0CU 0.8718
1148 DXK 0.8718
1149 MAN 0.8717
1150 B53 0.8717
1151 8NY 0.8717
1152 HL4 0.8715
1153 Z82 0.8714
1154 BCP 0.8713
1155 MOK 0.8711
1156 N2M 0.8711
1157 23A 0.8709
1158 K32 0.8709
1159 C0W 0.8708
1160 YIO 0.8708
1161 QQQ 0.8708
1162 9GP 0.8708
1163 VOH 0.8707
1164 HNK 0.8707
1165 SW7 0.8706
1166 0OY 0.8705
1167 MJ2 0.8704
1168 PKU 0.8704
1169 PBN 0.8704
1170 7N0 0.8704
1171 4XF 0.8702
1172 ADZ 0.8702
1173 R1P 0.8700
1174 B85 0.8700
1175 C1M 0.8699
1176 HH5 0.8698
1177 582 0.8696
1178 GT0 0.8696
1179 1WD 0.8696
1180 8G6 0.8694
1181 GNV 0.8693
1182 27K 0.8693
1183 2CG 0.8693
1184 MNN 0.8691
1185 D3G 0.8691
1186 SAN 0.8691
1187 1DJ 0.8690
1188 6F0 0.8690
1189 GAF 0.8689
1190 SMN 0.8688
1191 FRU 0.8688
1192 B2J 0.8687
1193 MFZ 0.8685
1194 Q77 0.8685
1195 HJ7 0.8684
1196 HLR 0.8683
1197 NDM 0.8683
1198 3HG 0.8682
1199 AS3 0.8681
1200 GJS 0.8681
1201 GM7 0.8680
1202 QMP 0.8680
1203 39A 0.8679
1204 R2P 0.8678
1205 3SK 0.8677
1206 56D 0.8676
1207 GZQ 0.8674
1208 1XN 0.8673
1209 JY4 0.8672
1210 H62 0.8672
1211 TBS 0.8670
1212 QUZ 0.8669
1213 IPD 0.8668
1214 JTA 0.8667
1215 GOG 0.8667
1216 RPQ 0.8666
1217 SOE 0.8666
1218 HNL 0.8666
1219 NSP 0.8663
1220 X6X 0.8662
1221 3GQ 0.8662
1222 TSU 0.8662
1223 F1A 0.8661
1224 FA1 0.8658
1225 XI7 0.8658
1226 NGA 0.8657
1227 SWD 0.8656
1228 L46 0.8655
1229 QAS 0.8655
1230 PXM 0.8653
1231 BEZ 0.8653
1232 DFB 0.8652
1233 FAN 0.8650
1234 FBT 0.8649
1235 3Z7 0.8649
1236 SLC 0.8648
1237 A2G 0.8648
1238 FQX 0.8646
1239 EPR 0.8646
1240 LVD 0.8645
1241 R8Y 0.8643
1242 M6H 0.8642
1243 HHI 0.8640
1244 1DW 0.8640
1245 1FE 0.8639
1246 3D1 0.8638
1247 LDC 0.8637
1248 2CK 0.8636
1249 R6T 0.8635
1250 NPY 0.8635
1251 4J8 0.8635
1252 KIA 0.8633
1253 1X8 0.8631
1254 RHU 0.8628
1255 3EB 0.8627
1256 9RW 0.8625
1257 LIP 0.8625
1258 PCS 0.8624
1259 795 0.8624
1260 STT 0.8624
1261 QAT 0.8624
1262 EQT 0.8622
1263 5LD 0.8621
1264 NTM 0.8620
1265 G6P 0.8620
1266 MUR 0.8619
1267 92G 0.8619
1268 HPS 0.8619
1269 492 0.8619
1270 KW8 0.8619
1271 6OT 0.8618
1272 BMA 0.8618
1273 GZ8 0.8617
1274 QWN 0.8616
1275 24B 0.8615
1276 LT3 0.8614
1277 CTE 0.8611
1278 K17 0.8607
1279 KJ5 0.8606
1280 QXW 0.8606
1281 NCA 0.8606
1282 S76 0.8605
1283 JY2 0.8603
1284 6MP 0.8603
1285 R9S 0.8601
1286 HPA 0.8599
1287 BEN 0.8598
1288 LLT 0.8594
1289 AVO 0.8593
1290 PQT 0.8591
1291 FBS 0.8588
1292 5DL 0.8586
1293 2IT 0.8586
1294 M4S 0.8583
1295 HIO 0.8583
1296 5AD 0.8582
1297 FCR 0.8582
1298 2ZV 0.8580
1299 ADE 0.8580
1300 LFQ 0.8580
1301 ABF 0.8577
1302 XM5 0.8573
1303 M3E 0.8572
1304 AMS 0.8572
1305 B21 0.8571
1306 QWW 0.8571
1307 64F 0.8570
1308 K34 0.8570
1309 M44 0.8569
1310 49P 0.8566
1311 GWM 0.8558
1312 7A3 0.8557
1313 8TW 0.8556
1314 MVL 0.8556
1315 AAS 0.8556
1316 GIM 0.8555
1317 LQ2 0.8553
1318 PHT 0.8552
1319 E3D 0.8551
1320 3QM 0.8550
1321 PF1 0.8549
1322 9DA 0.8547
1323 JXT 0.8543
1324 FA6 0.8543
1325 ES4 0.8541
1326 96U 0.8530
1327 QUB 0.8524
1328 NBV 0.8524
1329 AMG 0.8522
1330 LP8 0.8520
1331 MP5 0.8505
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6AY3; Ligand: C3J; Similar sites found with APoc: 6
This union binding pocket(no: 1) in the query (biounit: 6ay3.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 4UYF 73B 41.7391
2 4UYF 73B 41.7391
3 4UYG 73B 43.4783
4 4UYG 73B 43.4783
5 4UYG 73B 43.4783
6 4UYG 73B 43.4783
Pocket No.: 2; Query (leader) PDB : 6AY3; Ligand: C3J; Similar sites found with APoc: 1
This union binding pocket(no: 2) in the query (biounit: 6ay3.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 4UYF 73B 41.7391
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