Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B6I7GJ
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| Binder Name |
Methyl (3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-4-[[(2R)-3-(1H-indol-3-yl)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]-6-methylheptanoyl]amino]propanoyl]amino]-6-methylheptanoate
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| Synonyms |
CHEMBL3349556; BDBM50226298
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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 |
C47H67N7O10
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| Canonical SMILES |
C[C@@H](C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)OC)O)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)OC(C)(C)C)O
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| InChI |
1S/C47H67N7O10/c1-26(2)18-35(39(55)22-41(57)50-28(5)43(59)51-36(19-27(3)4)40(56)23-42(58)63-9)52-44(60)37(20-29-24-48-33-16-12-10-14-31(29)33)53-45(61)38(54-46(62)64-47(6,7)8)21-30-25-49-34-17-13-11-15-32(30)34/h10-17,24-28,35-40,48-49,55-56H,18-23H2,1-9H3,(H,50,57)(H,51,59)(H,52,60)(H,53,61)(H,54,62)/t28-,35-,36-,37+,38-,39-,40-/m0/s1
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| InChIKey |
JVHYJYRMDZDSFP-VOHVACSJSA-N
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| PubChem Compound ID | ||||
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