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BioLiP

PDB CCD ID: V06
Number of entries in BioLiP: 4
Chemical formula: C5 H5 Br N2
InChI: InChI=1S/C5H5BrN2/c6-4-3-8-2-1-5(4)7/h1-3H,(H2,7,8)
InChIKey: DDQYSZWFFXOXER-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385
Nc1ccncc1Br
OpenEye OEToolkits 2.0.7c1cncc(c1N)Br
Name:3-bromopyridin-4-amine
ZINC: ZINC000019015182

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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