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BioLiP

PDB CCD ID: WZR
Number of entries in BioLiP: 1
Chemical formula: C15 H13 N O2
InChI: InChI=1S/C15H13NO2/c17-11-6-7-12-13(10-4-2-1-3-5-10)9-15(18)16-14(12)8-11/h1-8,13,17H,9H2,(H,16,18)/t13-/m1/s1
InChIKey: QBMKHRHNYHHUAR-CYBMUJFWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)C2CC(=O)Nc3c2ccc(c3)O
CACTVS 3.385Oc1ccc2[C@H](CC(=O)Nc2c1)c3ccccc3
OpenEye OEToolkits 2.0.7c1ccc(cc1)[C@H]2CC(=O)Nc3c2ccc(c3)O
CACTVS 3.385Oc1ccc2[CH](CC(=O)Nc2c1)c3ccccc3
Name:(4~{R})-7-oxidanyl-4-phenyl-3,4-dihydro-1~{H}-quinolin-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).
  • 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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