Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BJL1Q0
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| Binder Name |
(4S)-5-[[(2S)-6-[6-[5-[(3As,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoylamino]-1-[[(2S)-1-carboxy-4-(2,6-dimethylbenzoyl)oxy-3-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
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| Synonyms |
CHEMBL221870; BDBM50200932
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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 |
C49H67N7O14S
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| Canonical SMILES |
CC1=C(C(=CC=C1)C)C(=O)OCC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCCC2[C@@H]3[C@H](CS2)NC(=O)N3)NC(=O)[C@H](CCC(=O)O)NC(=O)OCC4=CC=CC=C4
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| InChI |
1S/C49H67N7O14S/c1-30-14-13-15-31(2)43(30)47(66)69-28-37(57)35(26-42(62)63)53-45(64)33(52-46(65)34(22-23-41(60)61)55-49(68)70-27-32-16-5-3-6-17-32)18-10-12-25-51-39(58)20-7-4-11-24-50-40(59)21-9-8-19-38-44-36(29-71-38)54-48(67)56-44/h3,5-6,13-17,33-36,38,44H,4,7-12,18-29H2,1-2H3,(H,50,59)(H,51,58)(H,52,65)(H,53,64)(H,55,68)(H,60,61)(H,62,63)(H2,54,56,67)/t33-,34-,35-,36-,38?,44-/m0/s1
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| InChIKey |
DOBIYIOPZIMMRH-AMBBWHSESA-N
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| PubChem Compound ID | ||||
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