SEQ2FUN

BioLiP

PDB CCD ID: MUK
Number of entries in BioLiP: 2
Chemical formula: C12 H13 N3
InChI: InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)
InChIKey: ZLIBICFPKPWGIZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(nc(n1)Nc2ccccc2)C
CACTVS 3.385Cc1cc(C)nc(Nc2ccccc2)n1
Name:4,6-dimethyl-~{N}-phenyl-pyrimidin-2-amine
ChEMBL: CHEMBL540677
ZINC: ZINC000000967734

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).