BioLiP

PDB

BioLiP

PDB CCD ID:

RMA

Number of entries in BioLiP:

Chemical formula:

C13 H15 N

InChI:

InChI=1S/C13H15N/c1-3-10-14(2)13-9-8-11-6-4-5-7-12(11)13/h1,4-7,13H,8-10H2,2H3/t13-/m1/s1

InChIKey:

CSVGVHNFFZWQJU-CYBMUJFWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CN(CC#C)C1CCc2c1cccc2
OpenEye OEToolkits 1.5.0	CN(CC#C)[C@@H]1CCc2c1cccc2
CACTVS 3.341	CN(CC#C)[CH]1CCc2ccccc12
CACTVS 3.341	CN(CC#C)[C@@H]1CCc2ccccc12
ACDLabs 10.04	C#CCN(C)C2c1ccccc1CC2

Name:

N-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YL]-N-METHYL-N-PROP-2-YNYLAMINE;
N-METHYL-N-PROPARGYL-1(R)-AMINOINDAN

ChEMBL:

CHEMBL436947

DrugBank:

DB02211

ZINC:

ZINC000053275068

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).