SEQ2FUN

BioLiP

PDB CCD ID: 5UP
Number of entries in BioLiP: 4
Chemical formula: C9 H8 N4 O S
InChI: InChI=1S/C9H8N4OS/c10-8(14)5-1-2-12-6(3-5)7-4-15-9(11)13-7/h1-4H,(H2,10,14)(H2,11,13)
InChIKey: YCMAFYWOEDTAQB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1cnc(cc1C(=O)N)c2csc(n2)N
CACTVS 3.385NC(=O)c1ccnc(c1)c2csc(N)n2
Name:2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxamide
ChEMBL: CHEMBL3775782
ZINC: ZINC000263621254
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).