Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BW0DR9
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| Binder Name |
Methyl (2S)-2-[[(3S)-2-[2-[2-[2-[[2-[(3S)-3-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]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-methylsulfanylbutanoate
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| Synonyms |
CHEMBL412576; BDBM50285840
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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 |
C50H72N6O12S4
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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)OC)C(=O)OC(C)(C)C)CC(=O)N3CC4=CC=CC=C4C[C@H]3C(=O)N[C@@H](CCSC)C(=O)OC
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| InChI |
1S/C50H72N6O12S4/c1-49(2,3)67-47(63)53(31-41(57)55-29-35-17-13-11-15-33(35)27-39(55)43(59)51-37(19-23-69-9)45(61)65-7)21-25-71-72-26-22-54(48(64)68-50(4,5)6)32-42(58)56-30-36-18-14-12-16-34(36)28-40(56)44(60)52-38(20-24-70-10)46(62)66-8/h11-18,37-40H,19-32H2,1-10H3,(H,51,59)(H,52,60)/t37-,38-,39-,40-/m0/s1
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| InChIKey |
VLTMHLGLKWKVPE-YKKXUYLKSA-N
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| PubChem Compound ID | ||||
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