Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BE12XM
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| Binder Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-Acetamido-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-3-[4-(methanesulfonamido)phenyl]propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
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| Synonyms |
CHEMBL1791363; BDBM50370723
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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 |
C45H62N8O12S2
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| Canonical SMILES |
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CC=C(C=C2)NS(=O)(=O)C)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)NC(=O)[C@H](CS)NC(=O)C
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| InChI |
1S/C45H62N8O12S2/c1-5-26(2)39(52-43(60)38(25-66)47-27(3)54)44(61)50-36(23-29-11-17-32(55)18-12-29)41(58)48-34(8-6-7-21-46)40(57)49-35(22-28-9-15-31(16-10-28)53-67(4,64)65)42(59)51-37(45(62)63)24-30-13-19-33(56)20-14-30/h9-20,26,34-39,53,55-56,66H,5-8,21-25,46H2,1-4H3,(H,47,54)(H,48,58)(H,49,57)(H,50,61)(H,51,59)(H,52,60)(H,62,63)/t26-,34-,35-,36-,37-,38-,39-/m0/s1
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| InChIKey |
DQUGWKSYTJTMMT-DNGZEDCGSA-N
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| PubChem Compound ID | ||||
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