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BioLiP

PDB CCD ID: 0XT
Number of entries in BioLiP: 2
Chemical formula: C8 H10 N6 O
InChI: InChI=1S/C8H10N6O/c1-3-7(15-2)13-6-4(11-3)5(9)12-8(10)14-6/h1-2H3,(H4,9,10,12,13,14)
InChIKey: PBUUVJRZGWWXQU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c(nc2c(n1)c(nc(n2)N)N)OC
ACDLabs 12.01n1c2c(nc(OC)c1C)nc(nc2N)N
CACTVS 3.370COc1nc2nc(N)nc(N)c2nc1C
Name:7-methoxy-6-methylpteridine-2,4-diamine
ChEMBL: CHEMBL2165173
ZINC: ZINC000000339474
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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