SEQ2FUN

BioLiP

PDB CCD ID: 02Z
Number of entries in BioLiP: 1
Chemical formula: C10 H10 N4 O S
InChI: InChI=1S/C10H10N4OS/c11-8-7(9(12)15)16-10(14-8)13-6-4-2-1-3-5-6/h1-5H,11H2,(H2,12,15)(H,13,14)
InChIKey: NLHYHLPSUOFMHW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2c1ccc(cc1)Nc2nc(c(s2)C(=O)N)N
CACTVS 3.370NC(=O)c1sc(Nc2ccccc2)nc1N
ACDLabs 12.01O=C(c1sc(nc1N)Nc2ccccc2)N
Name:4-amino-2-(phenylamino)-1,3-thiazole-5-carboxamide
ChEMBL: CHEMBL2377833
ZINC: ZINC000068572056
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).