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BioLiP

PDB CCD ID: DX2
Number of entries in BioLiP: 4
Chemical formula: C12 H11 N7
InChI: InChI=1S/C12H11N7/c13-9-7(6-4-2-1-3-5-6)16-8-10(14)18-12(15)19-11(8)17-9/h1-5H,(H6,13,14,15,17,18,19)
InChIKey: FNYLWPVRPXGIIP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)c2c(nc3c(n2)c(nc(n3)N)N)N
ACDLabs 10.04n1c3c(nc(c1c2ccccc2)N)nc(nc3N)N
CACTVS 3.341Nc1nc(N)c2nc(c3ccccc3)c(N)nc2n1
Name:6-phenylpteridine-2,4,7-triamine
ChEMBL: CHEMBL585
DrugBank: DB00384
ZINC: ZINC000000120286
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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