BioLiP

PDB

BioLiP

PDB CCD ID:

3KX

Number of entries in BioLiP:

Chemical formula:

C18 H21 N O2

InChI:

InChI=1S/C18H21NO2/c20-16-12-15(11-13-7-3-1-4-8-13)19-18(21)17(16)14-9-5-2-6-10-14/h2,5-6,9-10,12-13H,1,3-4,7-8,11H2,(H2,19,20,21)

InChIKey:

UVVRYOIOMHFQGU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1ccc(cc1)C2=C(C=C(NC2=O)CC3CCCCC3)O
CACTVS 3.385	OC1=C(C(=O)NC(=C1)CC2CCCCC2)c3ccccc3
ACDLabs 12.01	O=C2C(c1ccccc1)=C(O)C=C(N2)CC3CCCCC3

Name:

6-(cyclohexylmethyl)-4-hydroxy-3-phenylpyridin-2(1H)-one

ChEMBL:

CHEMBL3742313

ZINC:

ZINC000209498775

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).