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BioLiP

PDB CCD ID: 4JO
Number of entries in BioLiP: 6
Chemical formula: C6 H7 Br N2
InChI: InChI=1S/C6H7BrN2/c1-4-5(7)2-3-6(8)9-4/h2-3H,1H3,(H2,8,9)
InChIKey: SEOZHXRTVJPQPZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2Cc1c(ccc(n1)N)Br
CACTVS 3.385Cc1nc(N)ccc1Br
ACDLabs 12.01Brc1ccc(nc1C)N
Name:5-bromo-6-methylpyridin-2-amine
ZINC: ZINC000019015078
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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