Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BTR3I6
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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}-5-(2-oxoacetamido)pentanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanoic acid
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| Synonyms |
CHEMBL397328; BDBM50216777
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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 |
C42H61N9O11
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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](CCCNC(=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/C42H61N9O11/c1-25(2)22-30(41(60)51-21-9-15-33(51)39(58)49-31(42(61)62)23-26-10-4-3-5-11-26)48-37(56)28(13-7-19-45-35(54)24-52)46-38(57)32-14-8-20-50(32)40(59)29(16-17-34(43)53)47-36(55)27-12-6-18-44-27/h3-5,10-11,24-25,27-33,44H,6-9,12-23H2,1-2H3,(H2,43,53)(H,45,54)(H,46,57)(H,47,55)(H,48,56)(H,49,58)(H,61,62)/t27-,28-,29-,30-,31-,32-,33-/m0/s1
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| InChIKey |
GJHAKGJKAWNVAJ-MRNVWEPHSA-N
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| PubChem Compound ID | ||||
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