SEQ2FUN

BioLiP

PDB CCD ID: ELH
Number of entries in BioLiP: 2
Chemical formula: C14 H9 N O2 S
InChI: InChI=1S/C14H9NO2S/c16-14(17)12-8-18-13(15-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H,16,17)
InChIKey: AQRUWPVKXHZCKR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1csc(n1)c2cccc3ccccc23
OpenEye OEToolkits 2.0.6c1ccc2c(c1)cccc2c3nc(cs3)C(=O)O
Name:2-naphthalen-1-yl-1,3-thiazole-4-carboxylic acid
ChEMBL: CHEMBL4288392
ZINC: ZINC000037309022
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).