Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B2OQ0U
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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)pyrrolidine-2-carboxamido)ethyl)acetamido)acetamido)acetic acid
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| Synonyms |
CHEMBL493643; BDBM50263834
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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 |
C48H59N13O10S
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| Canonical SMILES |
C1C[C@@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)NC(=O)CCCNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)C(=O)NCCN(CC(=O)NCC(=O)O)C(=O)CN6C=NC7=C(N=CN=C76)N
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| InChI |
1S/C48H59N13O10S/c49-44-42-45(54-27-53-44)60(28-55-42)25-39(65)59(24-38(64)52-23-40(66)67)21-19-51-46(69)34-10-7-20-61(34)47(70)32(22-29-14-16-31(17-15-29)43(68)30-8-2-1-3-9-30)56-37(63)13-6-18-50-36(62)12-5-4-11-35-41-33(26-72-35)57-48(71)58-41/h1-3,8-9,14-17,27-28,32-35,41H,4-7,10-13,18-26H2,(H,50,62)(H,51,69)(H,52,64)(H,56,63)(H,66,67)(H2,49,53,54)(H2,57,58,71)/t32-,33-,34+,35-,41-/m0/s1
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| InChIKey |
KOSIGNLETMJAJF-OBYUXVPZSA-N
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| PubChem Compound ID | ||||
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