BioLiP

PDB

BioLiP

PDB CCD ID:

RIM

Number of entries in BioLiP:

Chemical formula:

C12 H21 N

InChI:

InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3/t8-,9-,10+,11-,12-/m1/s1

InChIKey:

UBCHPRBFMUDMNC-RMPHRYRLSA-N

SMILES:

Software	SMILES
CACTVS 3.341	C[CH](N)C12CC3CC(CC(C3)C1)C2
ACDLabs 10.04	NC(C)C13CC2CC(CC(C1)C2)C3
OpenEye OEToolkits 1.5.0	C[C@H](C12CC3CC(C1)CC(C3)C2)N
CACTVS 3.341	C[C@@H](N)C12CC3CC(CC(C3)C1)C2
OpenEye OEToolkits 1.5.0	CC(C12CC3CC(C1)CC(C3)C2)N

Name:

RIMANTADINE;
1-(1-ADAMANTYL)ETHANAMINE

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).