Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B63PRD
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| Binder Name |
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-4-Carbamoyl-2-[(2S)-pyrrolidin-2-ylformamido]butanoyl]pyrrolidin-2-yl]formamido}-3-(2-oxoacetamido)propanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanoic acid
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| Synonyms |
CHEMBL397378; BDBM50216772
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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 |
C40H57N9O11
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| Canonical SMILES |
CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)NC(=O)[C@H](CNC(=O)C=O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]4CCCN4
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| InChI |
1S/C40H57N9O11/c1-23(2)19-27(39(58)49-18-8-12-30(49)36(55)46-28(40(59)60)20-24-9-4-3-5-10-24)45-35(54)29(21-43-33(52)22-50)47-37(56)31-13-7-17-48(31)38(57)26(14-15-32(41)51)44-34(53)25-11-6-16-42-25/h3-5,9-10,22-23,25-31,42H,6-8,11-21H2,1-2H3,(H2,41,51)(H,43,52)(H,44,53)(H,45,54)(H,46,55)(H,47,56)(H,59,60)/t25-,26-,27-,28-,29-,30-,31-/m0/s1
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| InChIKey |
XXEDMKASZVOJQY-XIJWKTHWSA-N
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| PubChem Compound ID | ||||
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