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BioLiP Library

PDB CCD ID: 6EC
Number of entries in BioLiP: 2
Chemical formula: C20 H16 N2 O4
InChI: InChI=1S/C20H16N2O4/c23-18-10-9-16(12-17(18)19(24)25)22-20(26)21-15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-12,23H,(H,24,25)(H2,21,22,26)
InChIKey: BRISALGJKGCDGB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01OC(c1c(O)ccc(c1)NC(=O)Nc2cccc(c2)c3ccccc3)=O
CACTVS 3.385OC(=O)c1cc(NC(=O)Nc2cccc(c2)c3ccccc3)ccc1O
OpenEye OEToolkits 2.0.4c1ccc(cc1)c2cccc(c2)NC(=O)Nc3ccc(c(c3)C(=O)O)O
Name:5-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid
ChEMBL: CHEMBL4740940
ZINC: ZINC000584904675
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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