Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BE9UO2
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| Binder Name |
(2S)-2-[[(2R)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-Amino-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]piperidine-2-carbonyl]amino]-3-phenylpropanoic acid
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| Synonyms |
CHEMBL248592; BDBM50478364
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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 |
C41H56N8O8
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| Canonical SMILES |
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCCC[C@@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)N
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| InChI |
1S/C41H56N8O8/c1-5-25(4)35(48-36(51)30(45-38(53)34(42)24(2)3)19-27-14-16-29(50)17-15-27)39(54)46-31(21-28-22-43-23-44-28)40(55)49-18-10-9-13-33(49)37(52)47-32(41(56)57)20-26-11-7-6-8-12-26/h6-8,11-12,14-17,22-25,30-35,50H,5,9-10,13,18-21,42H2,1-4H3,(H,43,44)(H,45,53)(H,46,54)(H,47,52)(H,48,51)(H,56,57)/t25-,30-,31-,32-,33+,34-,35-/m0/s1
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| InChIKey |
SQWZNTJOPGXAGA-RQCPJVKZSA-N
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| PubChem Compound ID | ||||
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