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BioLiP

PDB CCD ID: VJX
Number of entries in BioLiP: 3
Chemical formula: C19 H15 Cl N2 O4
InChI: InChI=1S/C19H15ClN2O4/c20-13-7-5-11(6-8-13)18(24)22-16(19(25)26)9-12-10-17(23)21-15-4-2-1-3-14(12)15/h1-8,10,16H,9H2,(H,21,23)(H,22,24)(H,25,26)/t16-/m0/s1
InChIKey: ALLWOAVDORUJLA-INIZCTEOSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)[CH](CC1=CC(=O)Nc2ccccc12)NC(=O)c3ccc(Cl)cc3
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C(=CC(=O)N2)CC(C(=O)O)NC(=O)c3ccc(cc3)Cl
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C(=CC(=O)N2)C[C@@H](C(=O)O)NC(=O)c3ccc(cc3)Cl
ACDLabs 12.01Clc1ccc(cc1)C(=O)NC(CC1=CC(=O)Nc2ccccc21)C(=O)O
CACTVS 3.385OC(=O)[C@H](CC1=CC(=O)Nc2ccccc12)NC(=O)c3ccc(Cl)cc3
Name:Rebamipide;
N-(4-chlorobenzoyl)-3-(2-oxo-1,2-dihydroquinolin-4-yl)-L-alanine
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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