SEQ2FUN

BioLiP

PDB CCD ID: E7O
Number of entries in BioLiP: 6
Chemical formula: C18 H13 N O3
InChI: InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22)
InChIKey: JXTHEWSKYLZVJC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1ccccc1C(=O)Nc2cccc3ccccc23
OpenEye OEToolkits 2.0.7c1ccc2c(c1)cccc2NC(=O)c3ccccc3C(=O)O
Name:2-(naphthalen-1-ylcarbamoyl)benzoic acid
ChEMBL: CHEMBL2447888
ZINC: ZINC000000028113
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).