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BioLiP

PDB CCD ID: BR7
Number of entries in BioLiP: 19
Chemical formula: C12 H20 Br N
InChI: InChI=1S/C12H20BrN/c1-9-3-10(2)5-11(13,4-9)8-12(14,6-9)7-10/h3-8,14H2,1-2H3/t9-,10+,11+,12-
InChIKey: UKCUZUGMIJFTKF-IWDIQUIJSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[C]12C[C]3(C)CC(N)(C1)CC(Br)(C2)C3
ACDLabs 12.01BrC13CC2(CC(N)(CC(C1)(C)C2)C3)C
CACTVS 3.385C[C@@]12C[C@@]3(C)CC(N)(C1)CC(Br)(C2)C3
OpenEye OEToolkits 1.9.2C[C@@]12C[C@]3(CC(C1)(CC(C2)(C3)Br)N)C
OpenEye OEToolkits 1.9.2CC12CC3(CC(C1)(CC(C2)(C3)Br)N)C
Name:Bromomemantine
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)(download the PDF file).
  • 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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