BioLiP

PDB

BioLiP

PDB CCD ID:

A1LX5

Number of entries in BioLiP:

Chemical formula:

C16 H18 N2

InChI:

InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3/t14-/m0/s1

InChIKey:

XXPANQJNYNUNES-AWEZNQCLSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN1C[CH](c2ccccc2)c3cccc(N)c3C1
CACTVS 3.385	CN1C[C@@H](c2ccccc2)c3cccc(N)c3C1
OpenEye OEToolkits 2.0.7	CN1Cc2c(cccc2N)C(C1)c3ccccc3
OpenEye OEToolkits 2.0.7	CN1Cc2c(cccc2N)[C@@H](C1)c3ccccc3

Name:

(4S)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine;
Nomifensine

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).