BioLiP

PDB

BioLiP

PDB CCD ID:

RSA

Number of entries in BioLiP:

Chemical formula:

C12 H13 N

InChI:

InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m0/s1

InChIKey:

RUOKEQAAGRXIBM-LBPRGKRZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C#CCNC1CCc2c1cccc2
ACDLabs 10.04	C#CCNC2c1ccccc1CC2
CACTVS 3.341	C#CCN[CH]1CCc2ccccc12
OpenEye OEToolkits 1.5.0	C#CCN[C@H]1CCc2c1cccc2
CACTVS 3.341	C#CCN[C@H]1CCc2ccccc12

Name:

N-PROPARGYL-1(S)-AMINOINDAN

ChEMBL:

CHEMBL1235738

DrugBank:

DB03894

ZINC:

ZINC000019875505

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).