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BioLiP

PDB CCD ID: Y2C
Number of entries in BioLiP: 2
Chemical formula: C5 H4 Cl2 N2
InChI: InChI=1S/C5H4Cl2N2/c6-3-1-9-2-4(7)5(3)8/h1-2H,(H2,8,9)
InChIKey: ISIQAMHROGZHOV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c(c(c(cn1)Cl)N)Cl
ACDLabs 12.01Clc1cncc(Cl)c1N
CACTVS 3.385Nc1c(Cl)cncc1Cl
Name:3,5-dichloropyridin-4-amine
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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