Receptor
PDB id Resolution Class Description Source Keywords
6J3O 2.11 Å EC: 2.3.1.48 CRYSTAL STRUCTURE OF THE HUMAN PCAF BROMODOMAIN IN COMPLEX W COMPOUND 12 HOMO SAPIENS CRYSTAL STRUCTURE OF THE HUMAN PCAF BROMODOMAIN IN COMPLEX WCOMPOUND 12 TRANSFERASE
Ref.: DISCOVERY OF PYRROLO[3,2- D]PYRIMIDIN-4-ONE DERIVAT NEW CLASS OF POTENT AND CELL-ACTIVE INHIBITORS OF P300/CBP-ASSOCIATED FACTOR BROMODOMAIN. J.MED.CHEM. V. 62 4526 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
B4L B:900;
A:900;
 Valid;
Valid;
 none;
none;
 Kd = 2.4 uM
261.323 C13 H19 N5 O CN1CC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6J3O 2.11 Å EC: 2.3.1.48 CRYSTAL STRUCTURE OF THE HUMAN PCAF BROMODOMAIN IN COMPLEX W COMPOUND 12 HOMO SAPIENS CRYSTAL STRUCTURE OF THE HUMAN PCAF BROMODOMAIN IN COMPLEX WCOMPOUND 12 TRANSFERASE
Ref.: DISCOVERY OF PYRROLO[3,2- D]PYRIMIDIN-4-ONE DERIVAT NEW CLASS OF POTENT AND CELL-ACTIVE INHIBITORS OF P300/CBP-ASSOCIATED FACTOR BROMODOMAIN. J.MED.CHEM. V. 62 4526 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 64 families.
1 6J3O Kd = 2.4 uM B4L C13 H19 N5 O CN1CCC[C@H....
70% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 families.
1 5FE0 - ALY C8 H16 N2 O3 CC(=O)NCCC....
2 5LVR Kd = 250 uM 78Y C10 H10 N4 O Cc1c(nn(n1....
3 5FDZ Kd = 6.8 uM 5X0 C21 H24 N2 O5 CNC(=O)c1c....
4 5FE1 - 12Q C10 H9 N O CN1c2ccccc....
5 5FE6 Kd = 6910 uM 5WZ C9 H16 N2 O C1CC1C(=O)....
6 5FE2 - 5WV C9 H9 N O CN1Cc2cccc....
7 5FE7 Kd = 488 uM 5WU C10 H14 N2 O2 Cc1c2c(n(n....
8 5FE8 - 5WT C13 H14 N2 O2 CC1=CC(=O)....
9 5FE4 - 5WY C9 H9 N O3 c1cc(c2c(c....
10 5FE9 Kd = 20.98 uM 5WS C12 H14 N2 O3 S CC1=CC(=O)....
11 5FE5 - 2QC C9 H9 N3 S c1cc(ccc1C....
12 5MKX ic50 = 20 uM 82I C6 H8 Cl N3 O CNC1=C(C(=....
13 5LVQ Kd = 73 uM 2LX C13 H17 N O3 CNC(=O)c1c....
14 5FE3 - 5WX C8 H8 N2 O2 COc1cccc2c....
15 5MLJ Ki = 1.4 nM 9ST C17 H21 Br N4 O CN1C[C@H](....
16 6J3P Kd = 105 nM B8O C21 H25 N5 O3 CN1C[C@H](....
17 5ML0 - P2L C11 H17 Cl N4 O CN1CCC[C@H....
18 6J3O Kd = 2.4 uM B4L C13 H19 N5 O CN1CCC[C@H....
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: B4L; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 B4L 1 1
2 B8O 0.5 0.797297
Similar Ligands (3D)
Ligand no: 1; Ligand: B4L; Similar ligands found: 525
No: Ligand Similarity coefficient
1 O9Q 0.9582
2 57D 0.9441
3 LU2 0.9380
4 3JC 0.9365
5 2QU 0.9362
6 4L2 0.9335
7 OUA 0.9324
8 XYP XIM 0.9324
9 3WL 0.9317
10 AJ4 0.9307
11 NAR 0.9304
12 12R 0.9304
13 BZC 0.9295
14 2QV 0.9295
15 7LU 0.9283
16 MW5 0.9280
17 IDZ 0.9268
18 O9Z 0.9267
19 O9T 0.9266
20 DDC 0.9263
21 AGI 0.9259
22 EMU 0.9253
23 6XC 0.9251
24 SCE 0.9250
25 H35 0.9247
26 6BK 0.9244
27 338 0.9235
28 AZC 0.9233
29 NU3 0.9229
30 KWB 0.9213
31 4GU 0.9213
32 3AK 0.9213
33 BC3 0.9210
34 5NN 0.9200
35 6B5 0.9197
36 5P7 0.9194
37 CMG 0.9193
38 FNA 0.9193
39 A4V 0.9190
40 RK4 0.9186
41 CC6 0.9185
42 F91 0.9182
43 7L4 0.9178
44 UN4 0.9173
45 LI4 0.9171
46 CWE 0.9164
47 MHB 0.9163
48 T5J 0.9160
49 20D 0.9155
50 E9L 0.9154
51 L3L 0.9148
52 XYP XYP 0.9139
53 5B2 0.9139
54 2NJ 0.9138
55 HHV 0.9137
56 U14 0.9129
57 3GX 0.9128
58 6QT 0.9128
59 L5D 0.9127
60 DQH 0.9127
61 CDJ 0.9127
62 F40 0.9126
63 H2W 0.9125
64 Q11 0.9122
65 HA6 0.9112
66 CUH 0.9111
67 LM7 0.9111
68 4K2 0.9111
69 XTS 0.9108
70 9CE 0.9107
71 QUE 0.9107
72 IMK 0.9107
73 5AV 0.9106
74 W8L 0.9105
75 BHF 0.9100
76 D5F 0.9097
77 MBP 0.9096
78 VT3 0.9094
79 FSE 0.9092
80 6JO 0.9091
81 LI7 0.9091
82 3WK 0.9090
83 IQQ 0.9089
84 5P3 0.9088
85 ZEA 0.9085
86 1Q4 0.9082
87 6GP 0.9082
88 TH1 0.9081
89 1V1 0.9077
90 XYP XDN 0.9075
91 M3W 0.9074
92 KTM 0.9072
93 7VF 0.9071
94 53X 0.9070
95 XDL XYP 0.9067
96 P2L 0.9065
97 LOX XYP 0.9065
98 DFL 0.9060
99 C4E 0.9059
100 X8E 0.9059
101 A73 0.9052
102 WLH 0.9052
103 CQW 0.9052
104 QUG 0.9051
105 PJK 0.9048
106 1V8 0.9048
107 1FL 0.9047
108 6FX 0.9045
109 H32 0.9045
110 AOJ 0.9044
111 HH6 0.9043
112 5E5 0.9038
113 553 0.9038
114 NAL 0.9036
115 6JM 0.9035
116 ZEZ 0.9035
117 NYJ 0.9034
118 7ZO 0.9032
119 XDN XYP 0.9032
120 3WJ 0.9031
121 NIY 0.9031
122 CU5 0.9028
123 J8D 0.9028
124 KMP 0.9026
125 NW1 0.9023
126 AUY 0.9021
127 DXK 0.9019
128 5E4 0.9014
129 DFV 0.9013
130 NPZ 0.9010
131 FHI 0.9009
132 3F4 0.9007
133 6TJ 0.9005
134 XIL 0.9004
135 MYC 0.9004
136 P4L 0.9003
137 1V4 0.9003
138 U12 0.9001
139 RGK 0.8999
140 2H4 0.8998
141 MRI 0.8998
142 T21 0.8996
143 IK1 0.8996
144 DE7 0.8993
145 IWH 0.8992
146 QTV 0.8989
147 SAK 0.8988
148 SZ5 0.8984
149 9JT 0.8983
150 ELH 0.8982
151 6DQ 0.8981
152 J8G 0.8979
153 A63 0.8978
154 AZY 0.8978
155 4F8 0.8976
156 4ZF 0.8974
157 TVC 0.8973
158 3D8 0.8973
159 0HV 0.8973
160 CUT 0.8972
161 QEI 0.8971
162 GVI 0.8971
163 3CA 0.8968
164 WA2 0.8967
165 VXP 0.8966
166 9ME 0.8966
167 KTV 0.8964
168 5V7 0.8959
169 5WW 0.8958
170 5PK 0.8958
171 5F8 0.8957
172 DH2 0.8956
173 IRH 0.8953
174 IM4 0.8950
175 5FL 0.8950
176 I0D 0.8950
177 YE7 0.8948
178 BJ4 0.8947
179 1V3 0.8946
180 BRY 0.8945
181 Q5M 0.8937
182 DL6 0.8936
183 GA2 0.8928
184 ZRL 0.8927
185 SGW 0.8927
186 PIQ 0.8927
187 CJZ 0.8927
188 JE7 0.8926
189 4G2 0.8926
190 8HH 0.8925
191 25F 0.8921
192 22T 0.8918
193 2L2 0.8917
194 QUB 0.8914
195 PE2 0.8912
196 4RV 0.8911
197 AKD 0.8909
198 RE4 0.8909
199 3TI 0.8903
200 0H5 0.8903
201 38E 0.8903
202 XYS XYP 0.8901
203 ASE 0.8900
204 ADN 0.8900
205 F0C 0.8900
206 M01 0.8900
207 GAT 0.8899
208 78P 0.8899
209 MT6 0.8897
210 Q92 0.8896
211 4CN 0.8895
212 108 0.8889
213 MQS 0.8882
214 EYA 0.8881
215 AVX 0.8881
216 AJD 0.8879
217 3WN 0.8879
218 3WO 0.8879
219 2JX 0.8878
220 CFK 0.8877
221 0SY 0.8877
222 XYS AZI XYS 0.8876
223 FNT 0.8876
224 2UV 0.8875
225 HWB 0.8874
226 6JP 0.8873
227 28E 0.8872
228 RVE 0.8871
229 2FA 0.8871
230 EYM 0.8871
231 Q2S 0.8870
232 2GQ 0.8869
233 4JV 0.8869
234 OSY 0.8869
235 XYS XYS 0.8868
236 ZIP 0.8867
237 4YF 0.8866
238 FCW 0.8865
239 TLF 0.8864
240 8M5 0.8863
241 2P3 0.8862
242 4YE 0.8862
243 YEX 0.8861
244 JFS 0.8861
245 AP6 0.8861
246 0DF 0.8858
247 7GP 0.8857
248 7EH 0.8854
249 PZX 0.8853
250 6J3 0.8853
251 AYS 0.8851
252 ET0 0.8850
253 EVO 0.8850
254 QC1 0.8848
255 CC5 0.8848
256 T62 0.8847
257 RGG 0.8847
258 ZRK 0.8844
259 4GP 0.8842
260 47V 0.8842
261 II4 0.8841
262 28A 0.8840
263 272 0.8839
264 4EU 0.8839
265 ARJ 0.8838
266 NOC 0.8838
267 KF5 0.8838
268 BXZ 0.8837
269 0Q2 0.8837
270 96Z 0.8836
271 5WK 0.8831
272 92O 0.8830
273 BL7 0.8826
274 G30 0.8825
275 SIJ 0.8825
276 IXM 0.8824
277 5ER 0.8821
278 5YA 0.8821
279 9RM 0.8817
280 697 0.8815
281 VXM 0.8815
282 LQG 0.8815
283 C09 0.8814
284 FY8 0.8813
285 581 0.8813
286 3B4 0.8812
287 7G2 0.8812
288 6NZ 0.8811
289 4Y2 0.8809
290 BUX 0.8808
291 AVA 0.8807
292 ZYV 0.8806
293 FUZ 0.8806
294 RNK 0.8805
295 5AD 0.8803
296 CX4 0.8801
297 BDE 0.8800
298 DCN 0.8798
299 5R9 0.8797
300 LWS 0.8797
301 91F 0.8796
302 F9W 0.8794
303 ID8 0.8792
304 CUQ 0.8792
305 YM6 0.8791
306 5E1 0.8789
307 OUG 0.8788
308 M08 0.8787
309 G6P 0.8786
310 6ZW 0.8783
311 AC2 0.8781
312 Q0K 0.8778
313 94M 0.8777
314 JSX 0.8777
315 BNY 0.8777
316 BBY 0.8777
317 52F 0.8776
318 XIF XYP 0.8776
319 4Z9 0.8776
320 U13 0.8775
321 D80 0.8773
322 8KW 0.8771
323 BZM 0.8770
324 NKI 0.8770
325 NQ7 0.8768
326 LVY 0.8767
327 1HP 0.8766
328 4FF 0.8765
329 B5A 0.8765
330 JCZ 0.8765
331 S1D 0.8765
332 XG1 0.8764
333 FPL 0.8763
334 4AU 0.8761
335 M02 0.8759
336 VBC 0.8758
337 MHD GAL 0.8755
338 ON1 0.8754
339 TRP 0.8753
340 9XZ 0.8753
341 5CJ 0.8752
342 DX7 0.8752
343 1XH 0.8752
344 IM5 0.8747
345 XYP XIF 0.8746
346 CBE 0.8745
347 49P 0.8744
348 D64 0.8744
349 IDD 0.8743
350 AV4 0.8741
351 LFK 0.8741
352 15I 0.8741
353 NXY 0.8740
354 97K 0.8738
355 TQ1 0.8737
356 FER 0.8736
357 7NU 0.8736
358 AOY 0.8735
359 MJW 0.8734
360 D8Y 0.8733
361 OSB 0.8732
362 ZYC 0.8732
363 9FN 0.8732
364 0UL 0.8732
365 NIF 0.8732
366 6EN 0.8731
367 KLV 0.8731
368 Q19 0.8730
369 L07 0.8730
370 MUX 0.8729
371 KUP 0.8727
372 U4J 0.8726
373 JTF 0.8726
374 NTF 0.8724
375 0OP 0.8724
376 X29 0.8723
377 DSQ 0.8723
378 D87 0.8722
379 27M 0.8720
380 1XS 0.8719
381 7ZL 0.8718
382 SNB 0.8717
383 RKY 0.8716
384 CHV 0.8716
385 P9I 0.8715
386 2BE 0.8714
387 5ZM 0.8714
388 E6Q 0.8714
389 XYP AHR 0.8712
390 KOM 0.8712
391 7XX 0.8712
392 3D1 0.8711
393 AUE 0.8710
394 OA4 0.8708
395 C0Y 0.8707
396 FLF 0.8707
397 0OK 0.8704
398 MJ5 0.8704
399 08C 0.8703
400 0QV 0.8701
401 5E2 0.8699
402 B2L 0.8699
403 GW9 0.8698
404 Q4G 0.8698
405 SU9 0.8698
406 TYP 0.8697
407 GQZ 0.8696
408 1V0 0.8696
409 8OB 0.8696
410 C4F 0.8695
411 1UZ 0.8694
412 27F 0.8690
413 WVV 0.8687
414 PZB 0.8685
415 C0W 0.8684
416 SVG 0.8683
417 JVD 0.8682
418 LZ7 0.8682
419 WDW 0.8677
420 3IB 0.8677
421 3IP 0.8676
422 Z15 0.8675
423 2XY 0.8672
424 AD3 0.8672
425 Q9T 0.8671
426 JOH 0.8671
427 MG7 0.8671
428 56N 0.8671
429 833 0.8670
430 MEX 0.8670
431 Q8D 0.8670
432 H7S 0.8670
433 4L6 0.8669
434 XYP XYS 0.8668
435 UI2 0.8667
436 1R5 0.8665
437 8UY 0.8663
438 XZ1 0.8663
439 5KN 0.8663
440 Y3J 0.8663
441 LP8 0.8663
442 SNP 0.8661
443 EEY 0.8661
444 0X2 0.8658
445 EZB 0.8658
446 DMB 0.8656
447 1UR 0.8655
448 3D3 0.8650
449 FL8 0.8650
450 58N 0.8649
451 A7Q 0.8649
452 UX0 0.8649
453 NOS 0.8648
454 ML1 0.8648
455 41L 0.8648
456 32V 0.8648
457 FE5 0.8643
458 IOP 0.8643
459 6FG 0.8640
460 EV2 0.8640
461 DTR 0.8639
462 9E3 0.8637
463 TCC 0.8636
464 TI7 0.8636
465 6DE 0.8631
466 3Q0 0.8630
467 6BD 0.8629
468 BIT 0.8627
469 DS8 0.8626
470 JY2 0.8625
471 L21 0.8625
472 DBE 0.8624
473 LLG 0.8621
474 MZR 0.8620
475 5WN 0.8617
476 7G1 0.8615
477 E9P 0.8615
478 EAT 0.8614
479 8GP 0.8612
480 2FD 0.8612
481 UNM 0.8611
482 K6N 0.8611
483 OT4 0.8608
484 AUV 0.8607
485 EYY 0.8607
486 1AJ 0.8605
487 RUG 0.8605
488 1UT 0.8603
489 BL6 0.8596
490 T34 0.8594
491 4YC 0.8593
492 T61 0.8593
493 XEV 0.8592
494 SSY 0.8588
495 2D2 0.8587
496 KP2 0.8586
497 8OE 0.8582
498 IAV 0.8582
499 NFZ 0.8576
500 8Y7 0.8575
501 EFT 0.8575
502 HN2 0.8570
503 KVD 0.8570
504 6J5 0.8568
505 VAO 0.8564
506 PFT 0.8563
507 B06 0.8563
508 5S9 0.8563
509 EDG AHR 0.8562
510 A64 0.8561
511 0K7 0.8558
512 DX2 0.8554
513 DIH 0.8551
514 U19 0.8551
515 801 0.8547
516 YJX 0.8546
517 3RP 0.8543
518 UN3 0.8542
519 OJ7 0.8537
520 YE6 0.8537
521 AB3 0.8535
522 PNJ 0.8531
523 VM1 0.8516
524 5DE 0.8515
525 K8W 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6J3O; Ligand: B4L; Similar sites found with APoc: 5
This union binding pocket(no: 1) in the query (biounit: 6j3o.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 6HDN FZB 30.7692
2 5N49 8LW 34.8148
3 5F1H 5U6 35
4 4UYE 9F9 38.1356
5 4UYE 9F9 38.1356
Pocket No.: 2; Query (leader) PDB : 6J3O; Ligand: B4L; Similar sites found with APoc: 5
This union binding pocket(no: 2) in the query (biounit: 6j3o.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 4YC9 4C1 34.2857
2 5F1H 5U6 35
3 5F1H 5U6 35
4 6V1H BMF 37.3016
5 5I7Y 69G 41.5842
APoc FAQ
Feedback