SEQ2FUN

BioLiP

PDB CCD ID: JFP
Number of entries in BioLiP: 10
Chemical formula: C7 H10 N2 O S
InChI: InChI=1S/C7H10N2OS/c1-3-6(10)9-7-8-5(2)4-11-7/h4H,3H2,1-2H3,(H,8,9,10)
InChIKey: AIOZNYOAFODHNA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCC(=O)Nc1scc(C)n1
ACDLabs 12.01
OpenEye OEToolkits 2.0.6		CCC(=O)Nc1nc(cs1)C
Name:N-(4-methyl-1,3-thiazol-2-yl)propanamide
ChEMBL: CHEMBL4096653
ZINC: ZINC000000069044
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).