Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B1FU8Q
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| Binder Name |
2-[[2-[2-[[(2R)-2-[[(2S)-2-[4-[5-[(3As,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]butanoylamino]-3-(4-benzoylphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]ethyl-[2-(6-aminopurin-9-yl)acetyl]amino]acetyl]amino]acetic acid
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| Synonyms |
CHEMBL443350; BDBM50263832
Click to Show/Hide
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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 |
C46H57N13O11S
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| Canonical SMILES |
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC(=O)N[C@@H](CC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)C(=O)N[C@H](CO)C(=O)NCCN(CC(=O)NCC(=O)O)C(=O)CN5C=NC6=C(N=CN=C65)N)NC(=O)N2
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| InChI |
1S/C46H57N13O11S/c47-42-40-43(52-25-51-42)59(26-53-40)22-37(64)58(21-36(63)50-20-38(65)66)18-17-49-44(68)31(23-60)55-45(69)30(19-27-12-14-29(15-13-27)41(67)28-7-2-1-3-8-28)54-35(62)11-6-16-48-34(61)10-5-4-9-33-39-32(24-71-33)56-46(70)57-39/h1-3,7-8,12-15,25-26,30-33,39,60H,4-6,9-11,16-24H2,(H,48,61)(H,49,68)(H,50,63)(H,54,62)(H,55,69)(H,65,66)(H2,47,51,52)(H2,56,57,70)/t30-,31+,32-,33-,39-/m0/s1
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| InChIKey |
ZSRYIZPNHZDONT-BEVJZRIFSA-N
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| PubChem Compound ID | ||||
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