SEQ2FUN

BioLiP

PDB CCD ID: MMJ
Number of entries in BioLiP: 4
Chemical formula: C12 H14 N2 S
InChI: InChI=1S/C12H14N2S/c1-9-11(8-13-2)15-12(14-9)10-6-4-3-5-7-10/h3-7,13H,8H2,1-2H3
InChIKey: GFAGRBRYZWAUSV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c(sc(n1)c2ccccc2)CNC
CACTVS 3.370CNCc1sc(nc1C)c2ccccc2
ACDLabs 12.01n1c(c(sc1c2ccccc2)CNC)C
Name:N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
ZINC: ZINC000004271708
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).