BioLiP

PDB

BioLiP

PDB CCD ID:

T4M

Number of entries in BioLiP:

Chemical formula:

C14 H15 N O

InChI:

InChI=1S/C14H15NO/c1-10(15-11(2)16)13-9-5-7-12-6-3-4-8-14(12)13/h3-10H,1-2H3,(H,15,16)/t10-/m1/s1

InChIKey:

RFWQKLFRYNTMOB-SNVBAGLBSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c1(cccc2c1cccc2)C(NC(=O)C)C
OpenEye OEToolkits 2.0.7	C[C@@H](c1cccc2c1cccc2)NC(=O)C
OpenEye OEToolkits 2.0.7	CC(c1cccc2c1cccc2)NC(=O)C
CACTVS 3.385	C[CH](NC(C)=O)c1cccc2ccccc12
CACTVS 3.385	C[C@@H](NC(C)=O)c1cccc2ccccc12

Name:

N-[(1R)-1-(naphthalen-1-yl)ethyl]acetamide

ZINC:

ZINC000000387735

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).