BioLiP

PDB

BioLiP

PDB CCD ID:

Y41

Number of entries in BioLiP:

Chemical formula:

C20 H20 N2 O

InChI:

InChI=1S/C20H20N2O/c1-13-16(10-6-12-19(13)21)20(23)22-14(2)17-11-5-8-15-7-3-4-9-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1

InChIKey:

PZEBTCMUWPLVEX-CQSZACIVSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[C@@H](NC(=O)c1cccc(N)c1C)c2cccc3ccccc23
OpenEye OEToolkits 2.0.7	Cc1c(cccc1N)C(=O)N[C@H](C)c2cccc3c2cccc3
ACDLabs 12.01	O=C(c1cccc(N)c1C)NC(C)c2cccc3c2cccc3
OpenEye OEToolkits 2.0.7	Cc1c(cccc1N)C(=O)NC(C)c2cccc3c2cccc3
CACTVS 3.385	C[CH](NC(=O)c1cccc(N)c1C)c2cccc3ccccc23

Name:

3-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide

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).