Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L7YQT9
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| Ligand Name |
N-(6-{4-[(4'-Chlorobiphenyl-2-Yl)methyl]piperazin-1-Yl}-1,1-Dioxido-1,2-Benzothiazol-3-Yl)-4-{[(2r)-4-(Dimethylamino)-1-(Phenylsulfanyl)butan-2-Yl]amino}-3-Nitrobenzenesulfonamide
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| Synonyms |
N-(6-{4-[(4'-Chlorobiphenyl-2-Yl)methyl]piperazin-1-Yl}-1,1-Dioxido-1,2-Benzothiazol-3-Yl)-4-{[(2r)-4-(Dimethylamino)-1-(Phenylsulfanyl)butan-2-Yl]amino}-3-Nitrobenzenesulfonamide; CHEMBL2322027; Q27451966
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| Structure |
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Download2D MOL
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| Formula |
C42H44ClN7O6S3
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| Canonical SMILES |
CN(C)CCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC3=NS(=O)(=O)C4=C3C=CC(=C4)N5CCN(CC5)CC6=CC=CC=C6C7=CC=C(C=C7)Cl)[N+](=O)[O-]
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| InChI |
1S/C42H44ClN7O6S3/c1-47(2)21-20-33(29-57-35-9-4-3-5-10-35)44-39-19-17-36(27-40(39)50(51)52)58(53,54)45-42-38-18-16-34(26-41(38)59(55,56)46-42)49-24-22-48(23-25-49)28-31-8-6-7-11-37(31)30-12-14-32(43)15-13-30/h3-19,26-27,33,44H,20-25,28-29H2,1-2H3,(H,45,46)/t33-/m1/s1
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| InChIKey |
IXACTXFUQMBZJI-MGBGTMOVSA-N
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| PubChem Compound ID | ||||
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