BioLiP

PDB

BioLiP

PDB CCD ID:

A1AA1

Number of entries in BioLiP:

Chemical formula:

C15 H21 N O2

InChI:

InChI=1S/C15H21NO2/c1-11(17)16-14-9-7-13(8-10-14)15(18)12-5-3-2-4-6-12/h7-10,12,15,18H,2-6H2,1H3,(H,16,17)/t15-/m1/s1

InChIKey:

JGDCZRXYVXBBMP-OAHLLOKOSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)Nc1ccc(cc1)[C@H](O)C2CCCCC2
ACDLabs 12.01	OC(c1ccc(NC(C)=O)cc1)C1CCCCC1
CACTVS 3.385	CC(=O)Nc1ccc(cc1)[CH](O)C2CCCCC2
OpenEye OEToolkits 2.0.7	CC(=O)Nc1ccc(cc1)[C@@H](C2CCCCC2)O
OpenEye OEToolkits 2.0.7	CC(=O)Nc1ccc(cc1)C(C2CCCCC2)O

Name:

N-{4-[(R)-cyclohexyl(hydroxy)methyl]phenyl}acetamide

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).