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BioLiP

PDB CCD ID: OXU
Number of entries in BioLiP: 2
Chemical formula: C2 H6 Br N
InChI: InChI=1S/C2H6BrN/c3-1-2-4/h1-2,4H2
InChIKey: IZQAUUVBKYXMET-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NCCBr
OpenEye OEToolkits 2.0.7C(CBr)N
Name:2-bromanylethanamine
ChEMBL: CHEMBL1697693
ZINC: ZINC000059066260
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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