Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LGF52H
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| Ligand Name |
N-[5-[4-[[4-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-4-oxobutyl]carbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
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| Synonyms |
Q3R
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| Structure |
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Download2D MOL
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| Formula |
C51H58F3N9O7S
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| Canonical SMILES |
CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CCCNC(=O)C4=CC=C(C=C4)C5=CC(=C(C=C5)N6CCN(CC6)C)NC(=O)C7=CNC(=O)C=C7C(F)(F)F)O
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| InChI |
1S/C51H58F3N9O7S/c1-30-44(71-29-58-30)33-10-8-31(9-11-33)26-57-48(69)41-24-36(64)28-63(41)49(70)45(50(2,3)4)60-42(65)7-6-18-55-46(67)34-14-12-32(13-15-34)35-16-17-40(62-21-19-61(5)20-22-62)39(23-35)59-47(68)37-27-56-43(66)25-38(37)51(52,53)54/h8-17,23,25,27,29,36,41,45,64H,6-7,18-22,24,26,28H2,1-5H3,(H,55,67)(H,56,66)(H,57,69)(H,59,68)(H,60,65)/t36-,41+,45-/m1/s1
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| InChIKey |
KFCLTULBYCCZBG-LTJJNQLXSA-N
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| PubChem Compound ID | ||||
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