SEQ2FUN

BioLiP

PDB CCD ID: 4XV
Number of entries in BioLiP: 1
Chemical formula: C8 H10 Cl N3
InChI: InChI=1S/C8H10ClN3/c1-4-6(9)11-8(5-2-3-5)12-7(4)10/h5H,2-3H2,1H3,(H2,10,11,12)
InChIKey: YAXGQELQDGLZKV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1c(N)nc(nc1Cl)C2CC2
ACDLabs 12.01c1(N)c(c(nc(n1)C2CC2)Cl)C
OpenEye OEToolkits 1.9.2Cc1c(nc(nc1Cl)C2CC2)N
Name:6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
ChEMBL: CHEMBL3622906
ZINC: ZINC000083825547
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).