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BioLiP

PDB CCD ID: LGA
Number of entries in BioLiP: 14
Chemical formula: C4 H5 N3
InChI: InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)
InChIKey: LJXQPZWIHJMPQQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Nc1ncccn1
ACDLabs 10.04n1cccnc1N
OpenEye OEToolkits 1.5.0c1cnc(nc1)N
Name:PYRIMIDIN-2-AMINE
ChEMBL: CHEMBL88580
ZINC: ZINC000000967472
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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