SEQ2FUN

BioLiP

PDB CCD ID: 4XS
Number of entries in BioLiP: 1
Chemical formula: C8 H8 Cl2 N2
InChI: InChI=1S/C8H8Cl2N2/c1-4-6(9)11-8(5-2-3-5)12-7(4)10/h5H,2-3H2,1H3
InChIKey: AEKXEKPMZIZYLD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2Cc1c(nc(nc1Cl)C2CC2)Cl
ACDLabs 12.01c1(Cl)c(C)c(nc(n1)C2CC2)Cl
CACTVS 3.385Cc1c(Cl)nc(nc1Cl)C2CC2
Name:4,6-dichloro-2-cyclopropyl-5-methylpyrimidine
ChEMBL: CHEMBL3622905
ZINC: ZINC000071790336
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).