BioLiP

PDB

BioLiP

PDB CCD ID:

F0F

Number of entries in BioLiP:

Chemical formula:

C15 H22 N2 O

InChI:

InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m1/s1

InChIKey:

GJJFMKBJSRMPLA-HIFRSBDPSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCN(CC)C(=O)[C]1(C[CH]1CN)c2ccccc2
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CCN(CC)C(=O)[C@@]1(C[C@@H]1CN)c2ccccc2
OpenEye OEToolkits 2.0.7	CCN(CC)C(=O)C1(CC1CN)c2ccccc2

Name:

(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenyl-cyclopropane-1-carboxamide

ChEMBL:

CHEMBL252923

ZINC:

ZINC000000014037

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).