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BioLiP

PDB CCD ID: 4LJ
Number of entries in BioLiP: 7
Chemical formula: C3 H8 Br N
InChI: InChI=1S/C3H8BrN/c4-2-1-3-5/h1-3,5H2
InChIKey: ZTGQZSKPSJUEBU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(CN)CBr
CACTVS 3.385NCCCBr
Name:1.7.6 3-bromanylpropan-1-amine
ZINC: ZINC000001719021
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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