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BioLiP

PDB CCD ID: EHU
Number of entries in BioLiP: 1
Chemical formula: C20 H17 Cl N2 O2
InChI: InChI=1S/C20H17ClN2O2/c1-22-17-12-11-16(18(19(17)21)13-7-3-2-4-8-13)23-15-10-6-5-9-14(15)20(24)25/h2-12,22-23H,1H3,(H,24,25)
InChIKey: RZIPOOPDWJBCHO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNc1ccc(Nc2ccccc2C(O)=O)c(c1Cl)c3ccccc3
OpenEye OEToolkits 2.0.7CNc1ccc(c(c1Cl)c2ccccc2)Nc3ccccc3C(=O)O
Name:2-[[3-chloranyl-4-(methylamino)-2-phenyl-phenyl]amino]benzoic acid
ChEMBL: CHEMBL4644810
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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