SEQ2FUN

BioLiP

PDB CCD ID: XBT
Number of entries in BioLiP: 1
Chemical formula: C7 H13 N S
InChI: InChI=1S/C7H13NS/c1-3-6(2)7-8-4-5-9-7/h6H,3-5H2,1-2H3/t6-/m1/s1
InChIKey: SAWWKXMIPYUIBW-ZCFIWIBFSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352
OpenEye OEToolkits 1.7.0		CC[C@@H](C)C1=NCCS1
CACTVS 3.352CC[CH](C)C1=NCCS1
OpenEye OEToolkits 1.7.0CCC(C)C1=NCCS1
Name:2-[(1R)-1-methylpropyl]-4,5-dihydro-1,3-thiazole;
2-sec-butyl-4,5-dihydrothiazole
ZINC: ZINC000005922096
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).