BioLiP

PDB

BioLiP

PDB CCD ID:

377

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.9.2	CC12CC3CC(C1)(CC(C3)(C2)N)C
ACDLabs 12.01	NC12CC3(CC(C1)(CC(C2)C3)C)C
CACTVS 3.385	C[C]12CC3C[C](C)(C1)CC(N)(C3)C2
CACTVS 3.385	C[C@@]12CC3C[C@@](C)(C1)CC(N)(C3)C2
OpenEye OEToolkits 1.9.2	C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)N)C

Name:

Memantine

ZINC:

ZINC000100210150

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).