BioLiP

PDB

BioLiP

PDB CCD ID:

67Y

Number of entries in BioLiP:

Chemical formula:

C12 H15 N O2

InChI:

InChI=1S/C12H15NO2/c14-8-12(15)13-11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,11,14H,3,5,7-8H2,(H,13,15)/t11-/m1/s1

InChIKey:

BBTOVZWCAMQWRJ-LLVKDONJSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	c1ccc2c(c1)CCC[C@H]2NC(=O)CO
OpenEye OEToolkits 2.0.4	c1ccc2c(c1)CCCC2NC(=O)CO
CACTVS 3.385	OCC(=O)N[CH]1CCCc2ccccc12
CACTVS 3.385	OCC(=O)N[C@@H]1CCCc2ccccc12
ACDLabs 12.01	C2(c1c(cccc1)CCC2)NC(CO)=O

Name:

2-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

ZINC:

ZINC000021952941

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).