BioLiP

PDB

BioLiP

PDB CCD ID:

YJN

Number of entries in BioLiP:

Chemical formula:

C21 H16 N2 O4

InChI:

InChI=1S/C21H16N2O4/c1-13-10-18(24)19(25)20(27-13)21(26)23-12-14-6-8-15(9-7-14)17-5-3-2-4-16(17)11-22/h2-10,25H,12H2,1H3,(H,23,26)

InChIKey:

UUYHLQXDQANMMD-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	OC=1C(=O)C=C(C)OC=1C(=O)NCc1ccc(cc1)c1ccccc1C#N
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC1=CC(=O)C(=C(O1)C(=O)NCc2ccc(cc2)c3ccccc3C#N)O

Name:

N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxamide

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).