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BioLiP

PDB CCD ID: 6X1
Number of entries in BioLiP: 1
Chemical formula: C14 H10 Cl2 N2 O3
InChI: InChI=1S/C14H10Cl2N2O3/c15-8-5-9(16)7-10(6-8)17-14(21)18-12-4-2-1-3-11(12)13(19)20/h1-7H,(H,19,20)(H2,17,18,21)
InChIKey: PIWYMPXOKMFVER-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc(c(c1)C(=O)O)NC(=O)Nc2cc(cc(c2)Cl)Cl
CACTVS 3.352OC(=O)c1ccccc1NC(=O)Nc2cc(Cl)cc(Cl)c2
Name:2-{[(3,5-dichlorophenyl)carbamoyl]amino}benzoic acid
ChEMBL: CHEMBL1088742
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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