SEQ2FUN

BioLiP

PDB CCD ID: 02C
Number of entries in BioLiP: 0
Chemical formula: C5 H8 N4 S
InChI: InChI=1S/C5H8N4S/c6-1-4-9-3(2-10-4)5(7)8/h2H,1,6H2,(H3,7,8)
InChIKey: KYXSOUQEUGTQGE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1c(nc(s1)CN)C(=N)N
OpenEye OEToolkits 1.7.0[H]/N=C(/c1csc(n1)CN)\N
CACTVS 3.370NCc1scc(n1)C(N)=N
ACDLabs 12.01n1c(C(=[N@H])N)csc1CN
Name:2-(aminomethyl)-1,3-thiazole-4-carboximidamide
ZINC: ZINC000098207740
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).