Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B7URP2
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| Binder Name |
6-[[2-[4-[[(2R)-2-[[(2S)-2-Amino-3-(1H-indol-2-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanoylamino]acetyl]amino]hexyl (2-chlorophenyl) hydrogen phosphate;N,N-diethylethanamine
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| Synonyms |
CHEMBL86385
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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 |
C46H64ClN8O8P
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| Canonical SMILES |
CCN(CC)CC.C1=CC=C2C(=C1)C=C(N2)C[C@@H](C(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)NCCCC(=O)NCC(=O)NCCCCCCOP(=O)(O)OC5=CC=CC=C5Cl)N
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| InChI |
1S/C40H49ClN7O8P.C6H15N/c41-31-14-5-8-17-36(31)56-57(53,54)55-21-10-2-1-9-19-43-38(50)26-46-37(49)18-11-20-44-40(52)35(23-28-25-45-34-16-7-4-13-30(28)34)48-39(51)32(42)24-29-22-27-12-3-6-15-33(27)47-29;1-4-7(5-2)6-3/h3-8,12-17,22,25,32,35,45,47H,1-2,9-11,18-21,23-24,26,42H2,(H,43,50)(H,44,52)(H,46,49)(H,48,51)(H,53,54);4-6H2,1-3H3/t32-,35+;/m0./s1
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| InChIKey |
PVPOSUGQHVQKPC-DPRHAXGWSA-N
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| PubChem Compound ID | ||||
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