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BioLiP

PDB CCD ID: 938
Number of entries in BioLiP: 2
Chemical formula: C4 H4 Cl N3
InChI: InChI=1S/C4H4ClN3/c5-4-3(6)1-7-2-8-4/h1-2H,6H2
InChIKey: LHGMCUVJFRBVBH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1c(c(ncn1)Cl)N
CACTVS 3.385Nc1cncnc1Cl
Name:4-chloranylpyrimidin-5-amine
ZINC: ZINC000037594042
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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