SEQ2FUN

BioLiP

PDB CCD ID: Q5M
Number of entries in BioLiP: 14
Chemical formula: C14 H12 O3
InChI: InChI=1S/C14H12O3/c15-13(8-9-14(16)17)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,16,17)
InChIKey: YNEXYDHOGAIPHO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)CCC(=O)c1cccc2ccccc12
ACDLabs 12.01c1(C(CCC(O)=O)=O)cccc2c1cccc2
OpenEye OEToolkits 2.0.7c1ccc2c(c1)cccc2C(=O)CCC(=O)O
Name:4-(naphthalen-1-yl)-4-oxobutanoic acid
ChEMBL: CHEMBL1530549
ZINC: ZINC000000236510
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).