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BioLiP Library

PDB CCD ID: QV9
Number of entries in BioLiP: 2
Chemical formula: C19 H15 Cl N2 O
InChI: InChI=1S/C19H15ClN2O/c20-15-6-3-5-13(10-15)17-8-9-22(19(17)23)18-12-21-11-14-4-1-2-7-16(14)18/h1-7,10-12,17H,8-9H2/t17-/m1/s1
InChIKey: RNKBROMGPBKNFK-QGZVFWFLSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)cncc2N3CC[C@@H](C3=O)c4cccc(c4)Cl
CACTVS 3.385Clc1cccc(c1)[CH]2CCN(C2=O)c3cncc4ccccc34
OpenEye OEToolkits 2.0.7c1ccc2c(c1)cncc2N3CCC(C3=O)c4cccc(c4)Cl
ACDLabs 12.01Clc1cccc(c1)C1CCN(c2cncc3ccccc23)C1=O
CACTVS 3.385Clc1cccc(c1)[C@H]2CCN(C2=O)c3cncc4ccccc34
Name:(3R)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)pyrrolidin-2-one
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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