SEQ2FUN

BioLiP

PDB CCD ID: I7L
Number of entries in BioLiP: 2
Chemical formula: C12 H10 O2
InChI: InChI=1S/C12H10O2/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H,13,14)
InChIKey: VIBOGIYPPWLDTI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52O=C(O)Cc1ccc2ccccc2c1
OpenEye OEToolkits 3.1.0.0c1ccc2cc(ccc2c1)CC(=O)O
CACTVS 3.385OC(=O)Cc1ccc2ccccc2c1
Name:2-naphthalen-2-ylethanoic acid
ChEMBL: CHEMBL948
ZINC: ZINC000000065317
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).