Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L6XH4F
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| Ligand Name |
(2S,4R)-N-[(1R)-2-[(2R)-1-[4-(4-bromo-7-cyclopentyl-5-oxobenzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propan-2-yl]oxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2S)-2-[[1-(dimethylamino)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
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| Structure |
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Download2D MOL
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| Formula |
C56H70BrN9O6S
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| Canonical SMILES |
CC1=C(SC=N1)C2=CC=C(C=C2)C(COC(C)CN3CCC(CC3)C4=CC5=C(C=C4)N6C7=C(C(=CC=C7)Br)C(=O)N=C6N5C8CCCC8)NC(=O)C9CC(CN9C(=O)C(C(C)(C)C)NC(=O)C1(CC1)N(C)C)O
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| InChI |
1S/C56H70BrN9O6S/c1-33(29-63-25-21-35(22-26-63)38-19-20-43-45(27-38)65(39-11-8-9-12-39)54-61-51(69)47-41(57)13-10-14-44(47)66(43)54)72-31-42(36-15-17-37(18-16-36)48-34(2)58-32-73-48)59-50(68)46-28-40(67)30-64(46)52(70)49(55(3,4)5)60-53(71)56(23-24-56)62(6)7/h10,13-20,27,32-33,35,39-40,42,46,49,67H,8-9,11-12,21-26,28-31H2,1-7H3,(H,59,68)(H,60,71)/t33-,40-,42+,46+,49-/m1/s1
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| InChIKey |
AYSNCSVZNJFPCS-JAHFJGENSA-N
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| PubChem Compound ID | ||||
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