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BioLiP

PDB CCD ID: PYD
Number of entries in BioLiP: 10
Chemical formula: C6 H9 N3
InChI: InChI=1S/C6H9N3/c1-4-3-8-5(2)9-6(4)7/h3H,1-2H3,(H2,7,8,9)
InChIKey: UXKNAXNFIYFMIB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cnc(nc1N)C
ACDLabs 10.04n1c(N)c(cnc1C)C
CACTVS 3.341Cc1ncc(C)c(N)n1
Name:2,5-DIMETHYL-PYRIMIDIN-4-YLAMINE
ChEMBL: CHEMBL1235533
DrugBank: DB02372
ZINC: ZINC000003591110
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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