SEQ2FUN

BioLiP

PDB CCD ID: U3Q
Number of entries in BioLiP: 1
Chemical formula: C15 H16 O2
InChI: InChI=1S/C15H16O2/c16-15(17)11-4-2-7-13-9-5-8-12-6-1-3-10-14(12)13/h1,3,5-6,8-10H,2,4,7,11H2,(H,16,17)
InChIKey: MBQDHVLINYDJHO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)CCCCc1cccc2ccccc12
OpenEye OEToolkits 2.0.7c1ccc2c(c1)cccc2CCCCC(=O)O
Name:1-Naphthalenepentanoic acid;
5-naphthalen-1-ylpentanoic acid
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).