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BioLiP Library

PDB CCD ID: AU6
Number of entries in BioLiP: 4
Chemical formula: C15 H14 N2 O3
InChI: InChI=1S/C15H14N2O3/c1-10-5-7-12(8-6-10)16-15(20)17-13-4-2-3-11(9-13)14(18)19/h2-9H,1H3,(H,18,19)(H2,16,17,20)
InChIKey: TYCRWVKJQQIRNE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01OC(c1cc(ccc1)NC(Nc2ccc(C)cc2)=O)=O
OpenEye OEToolkits 2.0.4Cc1ccc(cc1)NC(=O)Nc2cccc(c2)C(=O)O
CACTVS 3.385Cc1ccc(NC(=O)Nc2cccc(c2)C(O)=O)cc1
Name:3-{[(4-methylphenyl)carbamoyl]amino}benzoic acid
ChEMBL: CHEMBL4740650
ZINC: ZINC000002762849
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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