Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BNX8Y3
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| Binder Name |
8-[4-Methyl-3-[(5Z)-5-[(Z)-[5-[[2-methyl-5-[(4,6,8-trisulfo-2H-naphthalen-1-ylidene)carbamoyl]cyclohexa-2,4-dien-1-ylidene]carbamoyl]cyclohexa-2,4-dien-1-ylidene]carbamoyl]iminocyclohexa-1,3-diene-1-carbonyl]iminocyclohexa-1,4-diene-1-carbonyl]imino-7H-naphthalene-1,3,5-trisulfonic acid
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| Synonyms |
CHEMBL3040216; BDBM50179360
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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 |
C51H40N6O23S6
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| Canonical SMILES |
CC1=CCC(=CC1=NC(=O)C2=CC=C/C(=N\\C(=O)/N=C\\3/CC(=CC=C3)C(=O)N=C4CC(=CC=C4C)C(=O)N=C5CC=C(C6=C5C(=CC(=C6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)/C2)C(=O)N=C7CC=C(C8=C7C(=CC(=C8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
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| InChI |
1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-11,15-16,20-24H,12-14,17-19H2,1-2H3,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/b52-31+,53-32+,54-37?,55-38?,56-39?,57-40?
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| InChIKey |
VTCUUTNDNRAQSK-RROYOHAPSA-N
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| PubChem Compound ID | ||||
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