Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B9Y8QL
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| Binder Name |
(2S)-2-[[(3S)-2-[2-[2-[2-[[2-[(3S)-3-[[(1S)-1-Carboxy-3-methylsulfanylpropyl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyldisulfanyl]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-4-methylsulfanylbutanoic acid
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| Synonyms |
CHEMBL262383; BDBM50285841
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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 |
C48H68N6O12S4
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| Canonical SMILES |
CC(C)(C)OC(=O)N(CCSSCCN(CC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)N[C@@H](CCSC)C(=O)O)C(=O)OC(C)(C)C)CC(=O)N3CC4=CC=CC=C4C[C@H]3C(=O)N[C@@H](CCSC)C(=O)O
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| InChI |
1S/C48H68N6O12S4/c1-47(2,3)65-45(63)51(29-39(55)53-27-33-15-11-9-13-31(33)25-37(53)41(57)49-35(43(59)60)17-21-67-7)19-23-69-70-24-20-52(46(64)66-48(4,5)6)30-40(56)54-28-34-16-12-10-14-32(34)26-38(54)42(58)50-36(44(61)62)18-22-68-8/h9-16,35-38H,17-30H2,1-8H3,(H,49,57)(H,50,58)(H,59,60)(H,61,62)/t35-,36-,37-,38-/m0/s1
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| InChIKey |
TXXSJMWGQZWTQV-ZQWQDMLBSA-N
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| PubChem Compound ID | ||||
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