SEQ2FUN

BioLiP

PDB CCD ID: LZK
Number of entries in BioLiP: 2
Chemical formula: C15 H15 N5 O2
InChI: InChI=1S/C15H15N5O2/c1-21-10-4-3-5-11(22-2)12(10)9-6-8-7-18-15(17)20-14(8)19-13(9)16/h3-7H,1-2H3,(H4,16,17,18,19,20)
InChIKey: LRPHIAJXODIASX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341COc1cccc(OC)c1c2cc3cnc(N)nc3nc2N
OpenEye OEToolkits 1.5.0COc1cccc(c1c2cc3cnc(nc3nc2N)N)OC
ACDLabs 10.04n1c(c(cc2c1nc(nc2)N)c3c(OC)cccc3OC)N
Name:6-(2,6-DIMETHOXYPHENYL)PYRIDO[2,3-D]PYRIMIDINE-2,7-DIAMINE
ChEMBL: CHEMBL1234133
DrugBank: DB08145
ZINC: ZINC000053683379
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).