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BioLiP Library

PDB CCD ID: DX1
Number of entries in BioLiP: 4
Chemical formula: C12 H18 N6
InChI: InChI=1S/C12H18N6/c1-5(2)7-8(6(3)4)16-11-9(15-7)10(13)17-12(14)18-11/h5-6H,1-4H3,(H4,13,14,16,17,18)
InChIKey: LIVXWXAMTVJGCO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)c1c(nc2c(n1)c(nc(n2)N)N)C(C)C
CACTVS 3.341CC(C)c1nc2nc(N)nc(N)c2nc1C(C)C
ACDLabs 10.04n1c2c(nc(c1C(C)C)C(C)C)nc(nc2N)N
Name:6,7-bis(1-methylethyl)pteridine-2,4-diamine
ChEMBL: CHEMBL568202
ZINC: ZINC000000040831
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)(download the PDF file).
  • 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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