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BioLiP

PDB CCD ID: 68W
Number of entries in BioLiP: 2
Chemical formula: C20 H16 N2 O3
InChI: InChI=1S/C20H16N2O3/c23-19(24)16-9-5-11-18(13-16)22-20(25)21-17-10-4-8-15(12-17)14-6-2-1-3-7-14/h1-13H,(H,23,24)(H2,21,22,25)
InChIKey: FMMGJYWGPFRVFI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1ccc(cc1)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)O
CACTVS 3.385OC(=O)c1cccc(NC(=O)Nc2cccc(c2)c3ccccc3)c1
ACDLabs 12.01O=C(O)c1cc(ccc1)NC(Nc2cc(ccc2)c3ccccc3)=O
Name:3-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}benzoic acid
ChEMBL: CHEMBL4786399
ZINC: ZINC000584904698
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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