SEQ2FUN

BioLiP

PDB CCD ID: N96
Number of entries in BioLiP: 2
Chemical formula: C9 H12 N2 O2 S
InChI: InChI=1S/C9H12N2O2S/c1-2-8(12)11-9-10-6-3-4-13-5-7(6)14-9/h2-5H2,1H3,(H,10,11,12)
InChIKey: BNOABFVSOWBPLZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCC(=O)Nc1sc2COCCc2n1
OpenEye OEToolkits 2.0.7CCC(=O)Nc1nc2c(s1)COCC2
Name:~{N}-(6,7-dihydro-4~{H}-pyrano[4,3-d][1,3]thiazol-2-yl)propanamide
ChEMBL: CHEMBL4522739
ZINC: ZINC000075442912
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).