Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BA1XY4
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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-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
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| Synonyms |
CHEMBL1791370; BDBM50370738
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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 |
C44H59N7O11S
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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)O)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/C44H59N7O11S/c1-4-25(2)38(51-42(59)37(24-63)46-26(3)52)43(60)49-35(22-28-10-16-31(54)17-11-28)40(57)47-33(7-5-6-20-45)39(56)48-34(21-27-8-14-30(53)15-9-27)41(58)50-36(44(61)62)23-29-12-18-32(55)19-13-29/h8-19,25,33-38,53-55,63H,4-7,20-24,45H2,1-3H3,(H,46,52)(H,47,57)(H,48,56)(H,49,60)(H,50,58)(H,51,59)(H,61,62)/t25-,33-,34-,35-,36-,37-,38-/m0/s1
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| InChIKey |
OKQGAPJLQNPYDQ-ZRUDDMCFSA-N
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| PubChem Compound ID | ||||
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