BioLiP

PDB

BioLiP

PDB CCD ID:

A1LX6

Number of entries in BioLiP:

Chemical formula:

C17 H19 N O

InChI:

InChI=1S/C17H19NO/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18/h2-10,17H,11-13H2,1H3/t17-/m0/s1

InChIKey:

RGPDEAGGEXEMMM-KRWDZBQOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN1CCOC(c2ccccc2C1)c3ccccc3
CACTVS 3.385	CN1CCO[CH](c2ccccc2)c3ccccc3C1
CACTVS 3.385	CN1CCO[C@@H](c2ccccc2)c3ccccc3C1
OpenEye OEToolkits 2.0.7	CN1CCO[C@H](c2ccccc2C1)c3ccccc3

Name:

(1S)-5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine;
Nefopam

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).