BioLiP

PDB

BioLiP

PDB CCD ID:

RM1

Number of entries in BioLiP:

Chemical formula:

C10 H13 N

InChI:

InChI=1S/C10H13N/c1-11-10-7-6-8-4-2-3-5-9(8)10/h2-5,10-11H,6-7H2,1H3/t10-/m1/s1

InChIKey:

AIXUYZODYPPNAV-SNVBAGLBSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	c1cccc2c1CCC2NC
OpenEye OEToolkits 1.5.0	CNC1CCc2c1cccc2
CACTVS 3.341	CN[C@@H]1CCc2ccccc12
OpenEye OEToolkits 1.5.0	CN[C@@H]1CCc2c1cccc2
CACTVS 3.341	CN[CH]1CCc2ccccc12

Name:

N-METHYL-1(R)-AMINOINDAN

ChEMBL:

CHEMBL1235698

ZINC:

ZINC000012505624

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).