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BioLiP

PDB CCD ID: JMS
Number of entries in BioLiP: 6
Chemical formula: C14 H11 Cl2 N O2
InChI: InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19)
InChIKey: SBDNJUWAMKYJOX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0Cc1ccc(c(c1Cl)Nc2ccccc2C(=O)O)Cl
CACTVS 3.370Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl
ACDLabs 12.01Clc2ccc(c(Cl)c2Nc1ccccc1C(=O)O)C
Name:2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid;
meclofenamic acid
ChEMBL: CHEMBL509
DrugBank: DB00939
ZINC: ZINC000000001655
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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