SEQ2FUN

BioLiP

PDB CCD ID: 2ZX
Number of entries in BioLiP: 1
Chemical formula: C4 H5 Cl N4
InChI: InChI=1S/C4H5ClN4/c5-2-1-3(6)9-4(7)8-2/h1H,(H4,6,7,8,9)
InChIKey: QJIUMVUZDYPQRT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1c(nc(nc1Cl)N)N
CACTVS 3.385Nc1cc(Cl)nc(N)n1
ACDLabs 12.01Clc1nc(nc(N)c1)N
Name:6-chloropyrimidine-2,4-diamine
ChEMBL: CHEMBL4517551
ZINC: ZINC000000967399
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).