Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BDL1W8
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| Binder Name |
5-(4-Chlorophenyl)-4-[3-[4-[4-[[4-[[(2R)-4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonylcarbamoyl]phenyl]piperazin-1-yl]phenyl]-1,2-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]pyrrole-3-carboxamide
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| Synonyms |
CHEMBL2159734; BDBM50393834
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| Binder Type |
Small molecular drug
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| Structure |
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Download2D MOL
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| Formula |
C56H67ClN10O6S2
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| Canonical SMILES |
CC1=C(C(=C(N1C)C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)C(=O)NS(=O)(=O)C6=CC(=C(C=C6)N[C@H](CCN(C)C)CSC7=CC=CC=C7)[N+](=O)[O-])C(=O)NCCCN8CCN(CC8)C
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| InChI |
1S/C56H67ClN10O6S2/c1-40-52(56(69)58-26-10-27-64-31-29-62(4)30-32-64)53(54(63(40)5)41-15-19-44(57)20-16-41)43-11-9-12-47(37-43)66-35-33-65(34-36-66)46-21-17-42(18-22-46)55(68)60-75(72,73)49-23-24-50(51(38-49)67(70)71)59-45(25-28-61(2)3)39-74-48-13-7-6-8-14-48/h6-9,11-24,37-38,45,59H,10,25-36,39H2,1-5H3,(H,58,69)(H,60,68)/t45-/m1/s1
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| InChIKey |
WVRRDOBCERDMIK-WBVITSLISA-N
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| PubChem Compound ID | ||||
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