SEQ2FUN

BioLiP

PDB CCD ID: JSY
Number of entries in BioLiP: 4
Chemical formula: C12 H13 N3
InChI: InChI=1S/C12H13N3/c1-9-3-5-11(6-4-9)15-12-7-10(2)13-8-14-12/h3-8H,1-2H3,(H,13,14,15)
InChIKey: UOTKJOHTPXGQCE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)Nc2cc(ncn2)C
CACTVS 3.385Cc1ccc(Nc2cc(C)ncn2)cc1
ACDLabs 12.01Cc1cc(Nc2ccc(C)cc2)ncn1
Name:6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
ZINC: ZINC000000390261
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).