Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L91UVM
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| Ligand Name |
(2S,4R)-N-[[2-[3-[4-(4-bromo-7-cyclopentyl-5-oxobenzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
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| Structure |
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Download2D MOL
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| Formula |
C53H62BrFN8O6S
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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)C4(CC4)F)O)OCCCN5CCC(CC5)C6=CC7=C(C=C6)N8C9=C(C(=CC=C9)Br)C(=O)N=C8N7C1CCCC1
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| InChI |
1S/C53H62BrFN8O6S/c1-31-45(70-30-57-31)34-13-14-35(28-56-47(65)42-27-37(64)29-61(42)49(67)46(52(2,3)4)58-50(68)53(55)19-20-53)43(26-34)69-24-8-21-60-22-17-32(18-23-60)33-15-16-39-41(25-33)62(36-9-5-6-10-36)51-59-48(66)44-38(54)11-7-12-40(44)63(39)51/h7,11-16,25-26,30,32,36-37,42,46,64H,5-6,8-10,17-24,27-29H2,1-4H3,(H,56,65)(H,58,68)/t37-,42+,46-/m1/s1
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| InChIKey |
YUFHVVATBPCYPQ-BQGOKDIQSA-N
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| PubChem Compound ID | ||||
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