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BioLiP

PDB CCD ID: 377
Number of entries in BioLiP: 10
Chemical formula: C12 H21 N
InChI: InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3/t9-,10+,11-,12-
InChIKey: BUGYDGFZZOZRHP-CDECOKDKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CC12CC3CC(C1)(CC(C3)(C2)N)C
ACDLabs 12.01NC12CC3(CC(C1)(CC(C2)C3)C)C
CACTVS 3.385C[C]12CC3C[C](C)(C1)CC(N)(C3)C2
CACTVS 3.385C[C@@]12CC3C[C@@](C)(C1)CC(N)(C3)C2
OpenEye OEToolkits 1.9.2C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)N)C
Name:Memantine
ZINC: ZINC000100210150
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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