SEQ2FUN

BioLiP

PDB CCD ID: DX3
Number of entries in BioLiP: 4
Chemical formula: C9 H14 N6
InChI: InChI=1S/C9H14N6/c1-4-9(2,3)15-7-5(12-4)6(10)13-8(11)14-7/h1-3H3,(H5,10,11,13,14,15)
InChIKey: GDXJTHGAKWYHNK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04n2c(nc1c(N=C(C(N1)(C)C)C)c2N)N
OpenEye OEToolkits 1.5.0CC1=Nc2c(nc(nc2NC1(C)C)N)N
CACTVS 3.341CC1=Nc2c(N)nc(N)nc2NC1(C)C
Name:6,7,7-trimethyl-7,8-dihydropteridine-2,4-diamine
ChEMBL: CHEMBL566271
ZINC: ZINC000045253073
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).