Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LF1TC0
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| Ligand Name |
N-(1,3-benzothiazol-2-yl)-2-(4-{[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]carbamoyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
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| Synonyms |
N-(1,3-benzothiazol-2-yl)-2-(4-{[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]carbamoyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide; XZM; CHEMBL3699067; SCHEMBL15513569; BDBM139041; US8883784, 2
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| Structure |
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Download2D MOL
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| Formula |
C42H40F3N7O7S5
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| Canonical SMILES |
C1CN(CC2=C1C=CC=C2C(=O)NC3=NC4=CC=CC=C4S3)C5=NC(=CS5)C(=O)NS(=O)(=O)C6=CC(=C(C=C6)NC(CCN7CCOCC7)CSC8=CC=CC=C8)S(=O)(=O)C(F)(F)F
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| InChI |
1S/C42H40F3N7O7S5/c43-42(44,45)63(55,56)37-23-30(13-14-34(37)46-28(16-17-51-19-21-59-22-20-51)25-60-29-8-2-1-3-9-29)64(57,58)50-39(54)35-26-61-41(48-35)52-18-15-27-7-6-10-31(32(27)24-52)38(53)49-40-47-33-11-4-5-12-36(33)62-40/h1-14,23,26,28,46H,15-22,24-25H2,(H,50,54)(H,47,49,53)/t28-/m1/s1
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| InChIKey |
GSXZYBFDAFXVFZ-MUUNZHRXSA-N
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| PubChem Compound ID | ||||
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