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BioLiP Library

PDB CCD ID: XDK
Number of entries in BioLiP: 3
Chemical formula: C9 H8 N4
InChI: InChI=1S/C9H8N4/c10-9-12-5-3-8(13-9)7-2-1-4-11-6-7/h1-6H,(H2,10,12,13)
InChIKey: LQHQKYWYKPLKCH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352Nc1nccc(n1)c2cccnc2
OpenEye OEToolkits 1.6.1c1cc(cnc1)c2ccnc(n2)N
ACDLabs 10.04n2c(c1cnccc1)ccnc2N
Name:2-AMINO-4-PYRIDYL-PYRIMIDINE
ChEMBL: CHEMBL1236798
ZINC: ZINC000002244169
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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