SEQ2FUN

BioLiP

PDB CCD ID: TZL
Number of entries in BioLiP: 1
Chemical formula: C7 H11 N S
InChI: InChI=1S/C7H11NS/c1-3-6(2)7-8-4-5-9-7/h4-6H,3H2,1-2H3/t6-/m1/s1
InChIKey: MHJSWOZJMPIGJQ-ZCFIWIBFSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC[CH](C)c1sccn1
OpenEye OEToolkits 1.5.0CCC(C)c1nccs1
CACTVS 3.341CC[C@@H](C)c1sccn1
OpenEye OEToolkits 1.5.0CC[C@@H](C)c1nccs1
ACDLabs 10.04n1ccsc1C(C)CC
Name:2-(SEC-BUTYL)THIAZOLE
DrugBank: DB03087
ZINC: ZINC000002510149
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).