SEQ2FUN

BioLiP

PDB CCD ID: VM1
Number of entries in BioLiP: 2
Chemical formula: C10 H7 N O2 S
InChI: InChI=1S/C10H7NO2S/c12-10(13)8-4-7(5-11-6-8)9-2-1-3-14-9/h1-6H,(H,12,13)
InChIKey: DFWKRZGYBOVSKW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc(sc1)c2cc(cnc2)C(=O)O
ACDLabs 11.02O=C(O)c2cncc(c1sccc1)c2
CACTVS 3.352OC(=O)c1cncc(c1)c2sccc2
Name:5-(2-thienyl)nicotinic acid;
5-thiophen-2-ylpyridine-3-carboxylic acid;
5-(thien-2-yl)nicotinic acid
ZINC: ZINC000000158696
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).