BioLiP

PDB

BioLiP

PDB CCD ID:

DPK

Number of entries in BioLiP:

Chemical formula:

C13 H19 N

InChI:

InChI=1S/C13H19N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h4-9,12H,1,10-11H2,2-3H3/t12-/m1/s1

InChIKey:

BVYBGDRWIWQPOV-GFCCVEGCSA-N

SMILES:

Software	SMILES
CACTVS 3.341	C[CH](Cc1ccccc1)N(C)CC=C
CACTVS 3.341 OpenEye OEToolkits 1.5.0	C[C@H](Cc1ccccc1)N(C)CC=C
ACDLabs 10.04	N(C(Cc1ccccc1)C)(C\C=C)C
OpenEye OEToolkits 1.5.0	CC(Cc1ccccc1)N(C)CC=C

Name:

DEPRENYL;
N-METHYL-N-[(1R)-1-METHYL-2-PHENYLETHYL]PROP-2-EN-1-AMINE

DrugBank:

DB04677

ZINC:

ZINC000012504460

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).