Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BFZ8M9
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| Binder Name |
2-(2-(2-(6-Amino-9H-purin-9-yl)-N-(2-((R)-1-((S)-3-(4-benzoylphenyl)-2-(4-(5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)butanamido)propanoyl)piperidine-2-carboxamido)ethyl)acetamido)acetamido)acetic acid
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| Synonyms |
CHEMBL502453; BDBM50263835
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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 |
C49H61N13O10S
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| Canonical SMILES |
C1CCN([C@H](C1)C(=O)NCCN(CC(=O)NCC(=O)O)C(=O)CN2C=NC3=C(N=CN=C32)N)C(=O)[C@H](CC4=CC=C(C=C4)C(=O)C5=CC=CC=C5)NC(=O)CCCNC(=O)CCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7
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| InChI |
1S/C49H61N13O10S/c50-45-43-46(55-28-54-45)61(29-56-43)26-40(66)60(25-39(65)53-24-41(67)68)22-20-52-47(70)35-11-6-7-21-62(35)48(71)33(23-30-15-17-32(18-16-30)44(69)31-9-2-1-3-10-31)57-38(64)14-8-19-51-37(63)13-5-4-12-36-42-34(27-73-36)58-49(72)59-42/h1-3,9-10,15-18,28-29,33-36,42H,4-8,11-14,19-27H2,(H,51,63)(H,52,70)(H,53,65)(H,57,64)(H,67,68)(H2,50,54,55)(H2,58,59,72)/t33-,34-,35+,36-,42-/m0/s1
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| InChIKey |
JAUINRGJDOFXAW-JZYJPNPESA-N
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| PubChem Compound ID | ||||
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