SEQ2FUN

BioLiP

PDB CCD ID: NLA
Number of entries in BioLiP: 7
Chemical formula: C12 H10 O2
InChI: InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)
InChIKey: PRPINYUDVPFIRX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2c(c1)cccc2CC(=O)O
CACTVS 3.341OC(=O)Cc1cccc2ccccc12
ACDLabs 10.04O=C(O)Cc2cccc1ccccc12
Name:NAPHTHALEN-1-YL-ACETIC ACID
ChEMBL: CHEMBL428495
DrugBank: DB01750
ZINC: ZINC000000391809
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).