SEQ2FUN

BioLiP

PDB CCD ID: DU7
Number of entries in BioLiP: 1
Chemical formula: C5 H6 Cl N3
InChI: InChI=1S/C5H6ClN3/c1-3-2-4(6)9-5(7)8-3/h2H,1H3,(H2,7,8,9)
InChIKey: NPTGVVKPLWFPPX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1(N)nc(Cl)cc(n1)C
CACTVS 3.385Cc1cc(Cl)nc(N)n1
OpenEye OEToolkits 2.0.6Cc1cc(nc(n1)N)Cl
Name:4-chloro-6-methylpyrimidin-2-amine
ChEMBL: CHEMBL1723906
ZINC: ZINC000000039463
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).