BioLiP

PDB

BioLiP

PDB CCD ID:

W3X

Number of entries in BioLiP:

Chemical formula:

C14 H16 N2 O2

InChI:

InChI=1S/C14H16N2O2/c15-14(18)12-2-1-8-16(10-12)9-7-11-3-5-13(17)6-4-11/h1,3-6,8,10,17H,2,7,9H2,(H2,15,18)

InChIKey:

ACNLRZRWSZGYOV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC(=O)C1=CN(CCc2ccc(O)cc2)C=CC1
OpenEye OEToolkits 2.0.7	c1cc(ccc1CCN2C=CCC(=C2)C(=O)N)O
ACDLabs 12.01	NC(=O)C=1CC=CN(CCc2ccc(O)cc2)C=1

Name:

1-[2-(4-hydroxyphenyl)ethyl]-1,4-dihydropyridine-3-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).