SEQ2FUN

BioLiP

PDB CCD ID: WUM
Number of entries in BioLiP: 2
Chemical formula: C6 H11 N3 S
InChI: InChI=1S/C6H11N3S/c1-9(2)3-5-4-10-6(7)8-5/h4H,3H2,1-2H3,(H2,7,8)
InChIKey: HYQAPLLDHDEUSD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN(C)Cc1csc(n1)N
CACTVS 3.385CN(C)Cc1csc(N)n1
ACDLabs 12.01CN(C)Cc1nc(sc1)N
Name:4-[(dimethylamino)methyl]-1,3-thiazol-2-amine
ZINC: ZINC000001605296

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).