Receptor
PDB id Resolution Class Description Source Keywords
5OWK 1.25 Å EC: 2.3.1.48 CRYSTAL STRUCTURE OF CREBBP BROMODOMAIN COMPLEXED WITH DSPB2 HOMO SAPIENS CREBBP BROMODOMAIN INHIBITOR TRANSCRIPTION
Ref.: BINDING MOTIFS IN THE CBP BROMODOMAIN: AN ANALYSIS CRYSTAL STRUCTURES OF COMPLEXES WITH SMALL MOLECULE ACS MED CHEM LETT V. 9 929 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
7MX A:1202;
A:1201;
Valid;
Valid;
none;
none;
submit data
215.634 C9 H10 Cl N O3 CCOC(...
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: 7MX; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 7MX 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 7MX; Similar ligands found: 1182
No: Ligand Similarity coefficient
1 AMR 0.9720
2 XDE 0.9523
3 ALE 0.9523
4 H4E 0.9474
5 2FY 0.9470
6 1A7 0.9467
7 6VD 0.9452
8 LNR 0.9414
9 D8Q 0.9398
10 M78 0.9385
11 SRO 0.9381
12 MS9 0.9377
13 N8Y 0.9372
14 1QP 0.9369
15 A7H 0.9356
16 EGR 0.9349
17 92P 0.9346
18 BK9 0.9340
19 4KL 0.9335
20 535 0.9335
21 C2Y 0.9333
22 2LY 0.9330
23 HBO 0.9319
24 L99 0.9312
25 94W 0.9309
26 N2I 0.9307
27 8W9 0.9304
28 CKA 0.9302
29 TSR 0.9299
30 28S 0.9297
31 UAN 0.9296
32 4VS 0.9296
33 TSS 0.9296
34 57O 0.9295
35 SBK 0.9293
36 KDV 0.9291
37 VXX 0.9289
38 2AK 0.9280
39 F52 0.9267
40 KYA 0.9256
41 KMY 0.9251
42 LDP 0.9250
43 N1E 0.9245
44 NFM 0.9244
45 28N 0.9242
46 L22 0.9240
47 M4E 0.9236
48 3C4 0.9235
49 JXK 0.9229
50 CFA 0.9229
51 61M 0.9228
52 0F9 0.9228
53 8HC 0.9225
54 IAC 0.9225
55 ONR 0.9224
56 OW7 0.9220
57 I6G 0.9220
58 RD4 0.9218
59 FWD 0.9218
60 JXW 0.9215
61 0FK 0.9214
62 CK1 0.9210
63 NAG 0.9209
64 J9T 0.9207
65 2HQ 0.9205
66 30G 0.9204
67 CWJ 0.9203
68 V1T 0.9202
69 8XL 0.9199
70 3QV 0.9194
71 FF2 0.9193
72 B56 0.9192
73 89J 0.9192
74 SHA 0.9189
75 C9E 0.9187
76 DHY 0.9182
77 ZME 0.9179
78 ETV 0.9179
79 5XC 0.9179
80 N91 0.9176
81 E1T 0.9167
82 AJY 0.9165
83 F4E 0.9165
84 7VS 0.9165
85 NVU 0.9161
86 4I8 0.9159
87 5F5 0.9159
88 GZQ 0.9159
89 CIY 0.9157
90 3VX 0.9151
91 ODO 0.9151
92 42J 0.9151
93 E7Z 0.9149
94 9R5 0.9145
95 MUA 0.9144
96 4Z4 0.9142
97 S0G 0.9139
98 BQ2 0.9138
99 36M 0.9136
100 PEY 0.9136
101 4V2 0.9135
102 TT4 0.9133
103 MQB 0.9131
104 JYW 0.9130
105 DNF 0.9130
106 JYT 0.9129
107 JYK 0.9129
108 IWT 0.9129
109 DHC 0.9128
110 EYJ 0.9125
111 795 0.9120
112 BWD 0.9120
113 N0Z 0.9119
114 4TU 0.9119
115 PH2 0.9118
116 PJW 0.9117
117 9FE 0.9117
118 IV2 0.9116
119 HA5 0.9115
120 D3G 0.9112
121 M0W 0.9109
122 NPA 0.9109
123 AEH 0.9108
124 XEN 0.9107
125 8GK 0.9105
126 GO8 0.9104
127 M5H 0.9103
128 EYV 0.9102
129 ARP 0.9100
130 UFO 0.9099
131 IOP 0.9098
132 MD6 0.9097
133 MPK 0.9096
134 QBM 0.9094
135 NLA 0.9093
136 BZ3 0.9092
137 7FF 0.9091
138 VM1 0.9091
139 6KT 0.9091
140 67Y 0.9090
141 DRG 0.9090
142 HHR 0.9089
143 9ZE 0.9089
144 DNC 0.9089
145 9BF 0.9087
146 IWD 0.9087
147 M6Z 0.9084
148 BCU 0.9084
149 F9Y 0.9084
150 CWD 0.9084
151 5V7 0.9082
152 HDH 0.9082
153 L07 0.9081
154 15N 0.9081
155 J9Q 0.9079
156 IOS 0.9079
157 3TC 0.9078
158 3J8 0.9078
159 9UL 0.9076
160 5TY 0.9075
161 92G 0.9074
162 TCR 0.9072
163 ZYR 0.9072
164 S8D 0.9067
165 DK1 0.9064
166 2BG 0.9064
167 5WU 0.9063
168 OTR 0.9063
169 0LH 0.9062
170 4AV 0.9062
171 OMD 0.9061
172 Z5P 0.9060
173 0JD 0.9059
174 1F1 0.9058
175 CWS 0.9058
176 8U3 0.9058
177 3R6 0.9056
178 CH9 0.9056
179 7I2 0.9053
180 R9Y 0.9052
181 8WT 0.9051
182 N7I 0.9050
183 HQD 0.9050
184 5OB 0.9049
185 86J 0.9049
186 KJU 0.9049
187 BZJ 0.9049
188 JND 0.9049
189 H7Y 0.9048
190 H33 0.9045
191 N2Z 0.9045
192 8Y7 0.9044
193 LEL 0.9044
194 2O6 0.9044
195 MSR 0.9044
196 92K 0.9043
197 LDR 0.9042
198 6HP 0.9042
199 52C 0.9042
200 AA 0.9040
201 TQU 0.9040
202 BGC 0.9040
203 6NT 0.9039
204 F31 0.9039
205 JB8 0.9037
206 CK2 0.9036
207 9AP 0.9036
208 HLZ 0.9036
209 TRP 0.9036
210 TXW 0.9032
211 5GU 0.9032
212 JY2 0.9031
213 8NX 0.9031
214 THA 0.9031
215 GO2 0.9030
216 9FL 0.9030
217 MNP 0.9030
218 E35 0.9029
219 M1H 0.9028
220 I3A 0.9028
221 2SX 0.9028
222 KUF 0.9027
223 0HO 0.9027
224 15E 0.9027
225 MR1 0.9026
226 OTW 0.9024
227 209 0.9023
228 8TX 0.9022
229 C9M 0.9021
230 EV3 0.9021
231 E1P 0.9021
232 FCD 0.9020
233 KTW 0.9019
234 ANF 0.9019
235 EOL 0.9018
236 6BL 0.9018
237 6NI 0.9018
238 CR1 0.9018
239 4ME 0.9018
240 CXH 0.9017
241 8ZE 0.9017
242 2JK 0.9017
243 AQO 0.9016
244 54X 0.9016
245 B55 0.9015
246 I2E 0.9015
247 XDK 0.9015
248 JDN 0.9014
249 1IT 0.9014
250 3A9 0.9013
251 NID 0.9012
252 M0Q 0.9011
253 069 0.9011
254 5VL 0.9011
255 0HN 0.9010
256 X8D 0.9009
257 FER 0.9009
258 ASC 0.9009
259 QMS 0.9008
260 S7G 0.9008
261 2HU 0.9006
262 OX2 0.9005
263 NBV 0.9003
264 ABI 0.9003
265 BPY 0.9003
266 GF4 0.9003
267 4MU 0.9002
268 2GQ 0.9002
269 L13 0.9002
270 2FQ 0.9001
271 JXT 0.9000
272 2ZM 0.9000
273 AZ8 0.8999
274 CKU 0.8998
275 W81 0.8998
276 6ZX 0.8998
277 363 0.8995
278 6ME 0.8995
279 AC2 0.8994
280 42A 0.8994
281 MEW 0.8994
282 55D 0.8993
283 5NI 0.8993
284 5JQ 0.8993
285 GCU 0.8993
286 KF5 0.8992
287 RUG 0.8991
288 3NY 0.8991
289 DQU 0.8990
290 QBK 0.8990
291 INO 0.8990
292 7WR 0.8990
293 39O 0.8989
294 APS 0.8987
295 AY4 0.8987
296 XAZ 0.8987
297 1WC 0.8987
298 K82 0.8986
299 DEW 0.8986
300 PDC 0.8986
301 OA1 0.8984
302 L46 0.8984
303 3MB 0.8984
304 JTA 0.8983
305 7MW 0.8983
306 HHH 0.8983
307 JP2 0.8982
308 XHP 0.8981
309 JRB 0.8980
310 75K 0.8979
311 AZ9 0.8978
312 GCS 0.8978
313 PD2 0.8977
314 9KZ 0.8976
315 4YO 0.8975
316 BDP 0.8975
317 0N7 0.8974
318 44W 0.8973
319 226 0.8972
320 9CA 0.8972
321 0TU 0.8972
322 URC 0.8972
323 APZ 0.8972
324 BB4 0.8972
325 I59 0.8972
326 0GZ 0.8971
327 MVN 0.8971
328 S24 0.8971
329 OVM 0.8970
330 M5K 0.8970
331 DHB 0.8970
332 H4B 0.8970
333 GC2 0.8970
334 JWS 0.8969
335 LL1 0.8967
336 DRL 0.8967
337 G6P 0.8967
338 45L 0.8966
339 FLV 0.8966
340 GCB 0.8966
341 6X9 0.8965
342 KW8 0.8965
343 B41 0.8964
344 5OF 0.8964
345 5NS 0.8964
346 1X8 0.8963
347 PE0 0.8963
348 THM 0.8963
349 MIL 0.8963
350 KWH 0.8962
351 8G0 0.8961
352 0NX 0.8961
353 7ZC 0.8960
354 4HC 0.8960
355 4Z3 0.8960
356 5QY 0.8960
357 C0W 0.8959
358 QPR 0.8959
359 DAH 0.8959
360 TAG 0.8959
361 MIG 0.8958
362 4A3 0.8958
363 FHB 0.8957
364 4NC 0.8957
365 VNL 0.8957
366 SYE 0.8957
367 PQ0 0.8956
368 1P8 0.8956
369 E7R 0.8955
370 0XT 0.8955
371 HHS 0.8955
372 9MG 0.8955
373 CLZ 0.8954
374 VK3 0.8953
375 68A 0.8952
376 AJV 0.8952
377 7AP 0.8951
378 LZB 0.8951
379 CHB 0.8951
380 FC2 0.8950
381 3IL 0.8950
382 M5E 0.8950
383 EXD 0.8950
384 6QF 0.8949
385 5RN 0.8949
386 G3F 0.8949
387 MAJ 0.8948
388 SY4 0.8947
389 1P7 0.8946
390 ICO 0.8945
391 CX4 0.8943
392 23J 0.8941
393 MCY 0.8941
394 EYY 0.8940
395 GNV 0.8940
396 AJ2 0.8940
397 PRZ 0.8940
398 YE7 0.8939
399 5B1 0.8938
400 A29 0.8937
401 JA8 0.8937
402 HWD 0.8937
403 NNO 0.8936
404 93K 0.8936
405 EDR 0.8936
406 EWG 0.8935
407 L03 0.8935
408 K37 0.8935
409 IQ5 0.8934
410 JLZ 0.8934
411 FA0 0.8934
412 CPZ 0.8934
413 STX 0.8933
414 2HO 0.8933
415 OW4 0.8932
416 EA1 0.8932
417 GOE 0.8930
418 DBJ 0.8929
419 BTY 0.8929
420 D2G 0.8928
421 5OO 0.8928
422 BEA 0.8928
423 1KP 0.8928
424 ES2 0.8927
425 97T 0.8926
426 9TW 0.8926
427 KBB 0.8926
428 2K8 0.8924
429 GDE 0.8923
430 JF2 0.8922
431 D07 0.8922
432 ZZZ 0.8922
433 49O 0.8922
434 MP5 0.8922
435 3EB 0.8921
436 FDR 0.8921
437 LTT 0.8920
438 7VP 0.8920
439 XX2 0.8920
440 HQ9 0.8920
441 BOQ 0.8919
442 GTQ 0.8919
443 96R 0.8919
444 6J9 0.8919
445 X48 0.8919
446 PYU 0.8919
447 SAF 0.8919
448 BNL 0.8919
449 HPT 0.8918
450 B4O 0.8918
451 790 0.8917
452 JYB 0.8917
453 7CT 0.8917
454 8IG 0.8916
455 Q24 0.8914
456 ESI 0.8914
457 5WY 0.8914
458 VYM 0.8914
459 HA7 0.8914
460 MFZ 0.8913
461 H5B 0.8913
462 I3E 0.8913
463 MYJ 0.8913
464 GZ2 0.8912
465 8NB 0.8912
466 NGO 0.8912
467 1XA 0.8912
468 4JQ 0.8911
469 XG1 0.8910
470 4XF 0.8910
471 GRX 0.8910
472 SKM 0.8910
473 JR2 0.8909
474 6FB 0.8909
475 MQN 0.8909
476 4VY 0.8908
477 E7S 0.8908
478 4R1 0.8907
479 SJK 0.8907
480 3Z8 0.8907
481 BHA 0.8907
482 J6W 0.8906
483 5JL 0.8906
484 4M0 0.8905
485 091 0.8905
486 DOB 0.8904
487 BG6 0.8904
488 5GT 0.8903
489 4FH 0.8903
490 9GP 0.8902
491 4XS 0.8902
492 X0V 0.8902
493 F69 0.8902
494 NQ 0.8901
495 EKZ 0.8901
496 ANC 0.8900
497 B62 0.8900
498 RXA 0.8900
499 LZ2 0.8900
500 JAW 0.8900
501 6FZ 0.8900
502 R9G 0.8900
503 P9P 0.8899
504 LZM 0.8899
505 RM1 0.8899
506 5CU 0.8899
507 6HO 0.8899
508 N3W 0.8899
509 BP7 0.8898
510 QSB 0.8896
511 NDG 0.8896
512 TZF 0.8895
513 VGD 0.8895
514 MMS 0.8895
515 3HM 0.8894
516 OVP 0.8893
517 K2T 0.8893
518 M3Q 0.8892
519 GLC 0.8892
520 MAG 0.8891
521 DIU 0.8890
522 8WO 0.8890
523 7MU 0.8889
524 9PY 0.8889
525 SX1 0.8888
526 IPD 0.8888
527 BIO 0.8887
528 54G 0.8887
529 HNK 0.8886
530 E1K 0.8885
531 K25 0.8885
532 1M2 0.8885
533 LT2 0.8885
534 HLD 0.8884
535 GJK 0.8883
536 5NE 0.8883
537 8S0 0.8883
538 EVA 0.8881
539 HBI 0.8880
540 EYA 0.8880
541 GVY 0.8879
542 4BL 0.8879
543 BGP 0.8879
544 0P6 0.8876
545 FTV 0.8875
546 YZM 0.8875
547 CLW 0.8875
548 INE 0.8875
549 NIZ 0.8875
550 428 0.8874
551 DHK 0.8874
552 IHB 0.8873
553 60L 0.8872
554 SKF 0.8872
555 KDG 0.8871
556 0FO 0.8870
557 L5V 0.8870
558 1L5 0.8870
559 5M0 0.8869
560 MRW 0.8869
561 CSN 0.8869
562 3VW 0.8869
563 YE6 0.8867
564 MAQ 0.8867
565 5MK 0.8867
566 2UD 0.8867
567 86L 0.8867
568 TYE 0.8867
569 H2B 0.8866
570 C09 0.8865
571 64E 0.8865
572 9TZ 0.8865
573 SNU 0.8865
574 9F8 0.8865
575 NEU 0.8864
576 7ME 0.8864
577 774 0.8863
578 A5E 0.8863
579 1HN 0.8863
580 CTL 0.8862
581 EV2 0.8861
582 AJ1 0.8861
583 4AB 0.8860
584 TOF 0.8860
585 K22 0.8860
586 5NU 0.8860
587 ES5 0.8860
588 NBG 0.8859
589 4OG 0.8858
590 2HC 0.8858
591 SLS 0.8858
592 PRF 0.8858
593 4BX 0.8857
594 J5I 0.8857
595 4FS 0.8857
596 03V 0.8856
597 M1E 0.8856
598 DHR 0.8856
599 HA6 0.8855
600 FBB 0.8855
601 G3E 0.8853
602 8CM 0.8852
603 3PF 0.8851
604 D48 0.8851
605 4AA 0.8851
606 MS0 0.8849
607 5WT 0.8848
608 I1E 0.8848
609 78U 0.8848
610 DA4 0.8846
611 DIN 0.8846
612 37T 0.8846
613 DNA 0.8846
614 ESP 0.8846
615 GJP 0.8845
616 2ZQ 0.8845
617 D80 0.8844
618 R4E 0.8844
619 3R4 0.8844
620 2F6 0.8844
621 36R 0.8844
622 5RG 0.8844
623 YZ9 0.8843
624 X0U 0.8843
625 A7W 0.8843
626 1X7 0.8841
627 OCH 0.8840
628 SE2 0.8838
629 4SX 0.8838
630 OIA 0.8837
631 ESX 0.8837
632 HQT 0.8837
633 OQC 0.8837
634 AOT 0.8837
635 AUV 0.8836
636 7ZE 0.8836
637 CC5 0.8836
638 MO8 0.8835
639 1VK 0.8835
640 JHY 0.8834
641 GDL 0.8834
642 IPB 0.8834
643 263 0.8833
644 ZZ2 0.8833
645 P7Y 0.8833
646 327 0.8833
647 MYI 0.8832
648 DEE 0.8831
649 4XV 0.8831
650 B2E 0.8831
651 HQJ 0.8831
652 ISZ 0.8831
653 BA5 0.8830
654 4BY 0.8830
655 5BT 0.8829
656 JG8 0.8828
657 5WN 0.8826
658 IFP 0.8826
659 4RU 0.8825
660 LLT 0.8824
661 1QV 0.8823
662 PH3 0.8823
663 QIV 0.8822
664 B21 0.8821
665 5F8 0.8821
666 GCO 0.8821
667 C2U 0.8821
668 EY7 0.8821
669 ICB 0.8821
670 44V 0.8820
671 SYR 0.8820
672 1AL 0.8820
673 BZ2 0.8819
674 ZON 0.8816
675 DXK 0.8816
676 2AQ 0.8816
677 MXD 0.8815
678 K44 0.8815
679 7B3 0.8815
680 DTR 0.8815
681 HL4 0.8814
682 P83 0.8813
683 Y3L 0.8813
684 5O6 0.8813
685 YO5 0.8812
686 K68 0.8812
687 9UG 0.8811
688 TYL 0.8811
689 GNR 0.8810
690 96U 0.8810
691 4JT 0.8810
692 JF1 0.8809
693 PLP 0.8809
694 7ZL 0.8808
695 HX4 0.8808
696 B60 0.8808
697 HNL 0.8808
698 BIK 0.8807
699 4Z9 0.8807
700 8G6 0.8807
701 5RO 0.8806
702 9LI 0.8806
703 60Q 0.8806
704 GAL 0.8806
705 H70 0.8805
706 8WZ 0.8805
707 2KA 0.8805
708 P9E 0.8805
709 F12 0.8804
710 RVE 0.8803
711 22L 0.8802
712 344 0.8802
713 6DP 0.8802
714 HRM 0.8801
715 TYR 0.8801
716 2FX 0.8800
717 3RI 0.8800
718 ZEC 0.8800
719 5B2 0.8799
720 CCV 0.8799
721 B1J 0.8798
722 C1M 0.8798
723 COU 0.8798
724 96Z 0.8797
725 46P 0.8797
726 GXY 0.8797
727 CTE 0.8797
728 1FE 0.8796
729 K3Q 0.8796
730 PQT 0.8795
731 H42 0.8795
732 K32 0.8794
733 64C 0.8794
734 L98 0.8793
735 8RK 0.8793
736 JU2 0.8793
737 BHO 0.8793
738 UFV 0.8793
739 PMP 0.8793
740 DUR 0.8792
741 RKV 0.8792
742 CLU 0.8792
743 H7S 0.8791
744 DDU 0.8791
745 ET2 0.8791
746 EVF 0.8791
747 B61 0.8790
748 AN3 0.8790
749 NPL 0.8789
750 NGT 0.8789
751 NGW 0.8789
752 5QX 0.8789
753 MZM 0.8789
754 GJZ 0.8789
755 6RQ 0.8788
756 CFI 0.8788
757 XFE 0.8787
758 67X 0.8786
759 EYK 0.8785
760 DBX 0.8785
761 NDH 0.8785
762 ZZA 0.8784
763 3ZB 0.8784
764 2EC 0.8782
765 FEH 0.8782
766 XI7 0.8780
767 SKA 0.8780
768 12Q 0.8780
769 GZL 0.8780
770 TZM 0.8780
771 2LP 0.8779
772 S0E 0.8778
773 0W1 0.8777
774 TGX 0.8777
775 5MD 0.8776
776 YPN 0.8776
777 OTD 0.8776
778 1AJ 0.8775
779 F5C 0.8775
780 M2K 0.8773
781 1XS 0.8772
782 7W1 0.8772
783 12T 0.8772
784 ONZ 0.8772
785 FE DB1 0.8772
786 HWH 0.8772
787 MWP 0.8772
788 U7E 0.8771
789 0OL 0.8771
790 HC4 0.8770
791 LI6 0.8770
792 BDI 0.8769
793 LTN 0.8769
794 GT4 0.8768
795 X0T 0.8768
796 5VM 0.8768
797 8MO 0.8768
798 DPZ 0.8767
799 YF3 0.8765
800 0OY 0.8765
801 FBM 0.8765
802 657 0.8764
803 6L6 0.8764
804 UNJ 0.8764
805 X04 0.8764
806 ATX 0.8763
807 36E 0.8763
808 AVA 0.8762
809 KJH 0.8762
810 3LJ 0.8762
811 YRL 0.8761
812 G1P 0.8761
813 EYM 0.8760
814 RA7 0.8760
815 FOT 0.8759
816 TB8 0.8759
817 61O 0.8759
818 KCH 0.8758
819 BGN 0.8758
820 52F 0.8758
821 27K 0.8758
822 X11 0.8757
823 M02 0.8756
824 MPP 0.8755
825 BZQ 0.8755
826 PPY 0.8755
827 1XM 0.8754
828 ENO 0.8754
829 FHC 0.8754
830 NSG 0.8753
831 3DO 0.8753
832 6TZ 0.8753
833 4FE 0.8752
834 NFZ 0.8751
835 5C1 0.8751
836 ITW 0.8751
837 Q5M 0.8750
838 I4D 0.8750
839 DX3 0.8749
840 173 0.8748
841 9DG 0.8747
842 AEF 0.8747
843 PLR 0.8747
844 BCP 0.8745
845 54Z 0.8745
846 39U 0.8743
847 KT7 0.8743
848 SCT 0.8743
849 FWB 0.8741
850 6CS 0.8741
851 PPT 0.8741
852 8MP 0.8740
853 R20 0.8739
854 EUH 0.8737
855 ZYQ 0.8737
856 258 0.8737
857 XIY 0.8737
858 G14 0.8736
859 LT8 0.8736
860 FUD 0.8736
861 BY5 0.8736
862 3Y7 0.8735
863 3IB 0.8734
864 7PJ 0.8734
865 KJY 0.8734
866 A1Y 0.8733
867 15L 0.8733
868 QUS 0.8733
869 N9J 0.8733
870 ABF 0.8733
871 KTJ 0.8733
872 1SS 0.8732
873 OA3 0.8732
874 SQ7 0.8732
875 268 0.8731
876 NQH 0.8730
877 2D0 0.8729
878 BNF 0.8729
879 HPP 0.8729
880 0LO 0.8728
881 M1Q 0.8728
882 BNX 0.8727
883 LIP 0.8727
884 QSH 0.8725
885 FP1 0.8725
886 505 0.8724
887 ENG 0.8724
888 Q88 0.8723
889 3IT 0.8723
890 C53 0.8722
891 GC3 0.8721
892 B0K 0.8721
893 BHS 0.8720
894 NGA 0.8720
895 QH3 0.8719
896 5WZ 0.8718
897 YH7 0.8718
898 261 0.8718
899 36Y 0.8718
900 PQZ 0.8717
901 JTH 0.8717
902 NWD 0.8717
903 2KU 0.8716
904 TWO 0.8716
905 3BU 0.8716
906 ZYW 0.8715
907 537 0.8715
908 LGC 0.8715
909 TIY 0.8714
910 27B 0.8714
911 D1Y 0.8714
912 BPU 0.8713
913 LFQ 0.8713
914 SOR 0.8713
915 LSQ 0.8712
916 EN1 0.8710
917 JYE 0.8710
918 BOA 0.8709
919 6AP 0.8709
920 LOG 0.8709
921 GI3 0.8708
922 G12 0.8707
923 XQG 0.8707
924 NCT 0.8707
925 J9W 0.8706
926 XCG 0.8706
927 CS2 0.8706
928 78Y 0.8705
929 UNC 0.8705
930 PYQ 0.8705
931 QUB 0.8704
932 1SV 0.8704
933 5VJ 0.8704
934 4P5 0.8704
935 A5H 0.8704
936 RNO 0.8704
937 N2M 0.8702
938 14W 0.8702
939 CWM 0.8701
940 PRL 0.8701
941 P1J 0.8701
942 GCW 0.8700
943 5PX 0.8700
944 AZM 0.8700
945 6E8 0.8700
946 DX4 0.8699
947 0CU 0.8699
948 LJ3 0.8698
949 TJM 0.8697
950 SNO 0.8697
951 GV9 0.8694
952 5FL 0.8692
953 SNG 0.8692
954 PXP 0.8690
955 CFF 0.8690
956 20J 0.8690
957 1HR 0.8690
958 FIX 0.8689
959 GSY 0.8689
960 KGK 0.8689
961 REL 0.8688
962 IJZ 0.8688
963 GOJ 0.8688
964 EUE 0.8686
965 6GU 0.8686
966 BGU 0.8686
967 MQG 0.8686
968 X09 0.8684
969 EMZ 0.8684
970 JXN 0.8684
971 KBG 0.8684
972 FK8 0.8684
973 M3H 0.8683
974 CTS 0.8683
975 GTR 0.8683
976 SG2 0.8682
977 ZSP 0.8680
978 PHH 0.8680
979 3LR 0.8679
980 GUN 0.8678
981 3SU 0.8677
982 B2T 0.8677
983 QX4 0.8677
984 QIF 0.8674
985 L7T 0.8674
986 141 0.8672
987 XM5 0.8672
988 582 0.8671
989 GNM 0.8671
990 SHG 0.8671
991 6SD 0.8670
992 B86 0.8670
993 AZA 0.8669
994 F1X 0.8669
995 OCZ 0.8667
996 6R8 0.8665
997 PNZ 0.8664
998 EUG 0.8662
999 B5D 0.8661
1000 D1G 0.8660
1001 KYN 0.8660
1002 9KT 0.8660
1003 TTL 0.8660
1004 7O4 0.8660
1005 AZG 0.8658
1006 M1Z 0.8658
1007 IPT 0.8658
1008 2LW 0.8657
1009 ES0 0.8657
1010 5LA 0.8657
1011 BE2 0.8657
1012 4B0 0.8655
1013 M6P 0.8655
1014 AX3 0.8654
1015 F2W 0.8653
1016 PQK 0.8653
1017 C82 0.8653
1018 IYR 0.8653
1019 FGZ 0.8651
1020 SYV 0.8651
1021 ZEA 0.8651
1022 ZZ8 0.8650
1023 HKD 0.8650
1024 0FR 0.8649
1025 A2F 0.8649
1026 GT0 0.8648
1027 AC6 0.8648
1028 CHQ 0.8647
1029 4AU 0.8645
1030 SAL 0.8644
1031 GLO 0.8644
1032 TMG 0.8644
1033 PIM 0.8643
1034 IGA 0.8642
1035 JFJ 0.8642
1036 CUQ 0.8641
1037 HNQ 0.8640
1038 B23 0.8640
1039 TTY 0.8640
1040 Q71 0.8639
1041 WOO 0.8639
1042 AHC 0.8639
1043 ALL 0.8638
1044 JKE 0.8638
1045 4M4 0.8637
1046 TU0 0.8636
1047 F40 0.8636
1048 THU 0.8635
1049 LPK 0.8635
1050 WUB 0.8634
1051 IBM 0.8634
1052 KG1 0.8633
1053 SYM 0.8633
1054 KP2 0.8631
1055 NIY 0.8631
1056 Q7A 0.8631
1057 RZH 0.8631
1058 J01 0.8631
1059 EXL 0.8629
1060 QQQ 0.8628
1061 ZXD 0.8627
1062 F95 0.8627
1063 IQZ 0.8625
1064 J1K 0.8625
1065 X0W 0.8625
1066 42C 0.8625
1067 ANN 0.8624
1068 PF1 0.8623
1069 JXQ 0.8623
1070 4LW 0.8622
1071 KWB 0.8621
1072 HSX 0.8621
1073 Q77 0.8620
1074 8XQ 0.8620
1075 2CZ 0.8618
1076 MPV 0.8618
1077 AZC 0.8617
1078 5WX 0.8616
1079 4ZA 0.8615
1080 AIN 0.8615
1081 0J5 0.8615
1082 R2P 0.8613
1083 CIT 0.8612
1084 2J9 0.8611
1085 8YH 0.8611
1086 LKA 0.8611
1087 6MW 0.8610
1088 3MG 0.8610
1089 NPO 0.8610
1090 AKH 0.8610
1091 PIQ 0.8609
1092 DTE 0.8608
1093 7WV 0.8608
1094 0BP 0.8607
1095 B57 0.8606
1096 HJ7 0.8605
1097 NDM 0.8605
1098 XIZ 0.8605
1099 2QC 0.8605
1100 XQI 0.8604
1101 BZE 0.8604
1102 PZP 0.8604
1103 TPA 0.8603
1104 DPT 0.8603
1105 X05 0.8602
1106 3GX 0.8601
1107 ELH 0.8600
1108 K97 0.8600
1109 549 0.8600
1110 7NI 0.8599
1111 Q6T 0.8599
1112 TOM 0.8599
1113 K3D 0.8598
1114 N4E 0.8598
1115 G5V 0.8598
1116 L21 0.8597
1117 5JT 0.8595
1118 PX7 0.8594
1119 MOK 0.8593
1120 AH9 0.8593
1121 PHB 0.8593
1122 II4 0.8592
1123 CGW 0.8591
1124 F9P 0.8590
1125 ROI 0.8590
1126 SDD 0.8587
1127 NAL 0.8587
1128 56D 0.8587
1129 LP8 0.8586
1130 67N 0.8585
1131 X6P 0.8585
1132 S2T 0.8585
1133 CPW 0.8585
1134 NOK 0.8584
1135 TVP 0.8582
1136 4WL 0.8582
1137 3HA 0.8582
1138 HNT 0.8581
1139 53C 0.8581
1140 2D3 0.8579
1141 STT 0.8578
1142 DBH 0.8576
1143 LRW 0.8575
1144 5NN 0.8575
1145 KTA 0.8575
1146 C0H 0.8573
1147 PAB 0.8573
1148 3AD 0.8572
1149 EV0 0.8571
1150 KNA 0.8568
1151 GNY 0.8568
1152 1Z6 0.8568
1153 GLP 0.8567
1154 PBZ 0.8566
1155 RJY 0.8566
1156 V55 0.8564
1157 IA2 0.8562
1158 FDB 0.8560
1159 J9N 0.8558
1160 PIY 0.8557
1161 F0J 0.8554
1162 PO6 0.8552
1163 LWS 0.8551
1164 HLP 0.8550
1165 EVO 0.8549
1166 GAB 0.8549
1167 T6Z 0.8548
1168 FYU 0.8545
1169 PZI 0.8542
1170 1Y6 0.8541
1171 3HB 0.8540
1172 3AB 0.8540
1173 TEP 0.8540
1174 TCA 0.8539
1175 AS3 0.8539
1176 HBD 0.8538
1177 0W8 0.8535
1178 PBN 0.8534
1179 GB4 0.8534
1180 3U4 0.8521
1181 4SV 0.8511
1182 4MA 0.8504
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
APoc FAQ
Feedback