SEQ2FUN

BioLiP

PDB CCD ID: L22
Number of entries in BioLiP: 2
Chemical formula: C7 H7 N5 S
InChI: InChI=1S/C7H7N5S/c8-6-10-2-1-4(11-6)5-3-13-7(9)12-5/h1-3H,(H2,9,12)(H2,8,10,11)
InChIKey: FHERIFNAOMUFRM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04n1c(nccc1c2nc(sc2)N)N
OpenEye OEToolkits 1.6.1c1cnc(nc1c2csc(n2)N)N
CACTVS 3.352Nc1scc(n1)c2ccnc(N)n2
Name:4-(2-amino-1,3-thiazol-4-yl)pyrimidin-2-amine
DrugBank: DB08075
ZINC: ZINC000034099696
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).