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BioLiP Library

PDB CCD ID: 68Q
Number of entries in BioLiP: 4
Chemical formula: C14 H10 Cl2 N2 O3
InChI: InChI=1S/C14H10Cl2N2O3/c15-11-5-4-10(7-12(11)16)18-14(21)17-9-3-1-2-8(6-9)13(19)20/h1-7H,(H,19,20)(H2,17,18,21)
InChIKey: RAPJIPXYCVHSNT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1cc(cc(c1)NC(=O)Nc2ccc(c(c2)Cl)Cl)C(=O)O
ACDLabs 12.01OC(=O)c1cccc(c1)NC(=O)Nc2cc(Cl)c(cc2)Cl
CACTVS 3.385OC(=O)c1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1
Name:3-{[(3,4-dichlorophenyl)carbamoyl]amino}benzoic acid
ChEMBL: CHEMBL4757665
ZINC: ZINC000000397530
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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