BioLiP

PDB

BioLiP

PDB CCD ID:

WQM

Number of entries in BioLiP:

Chemical formula:

C7 H8 N2 O2

InChI:

InChI=1S/C7H8N2O2/c1-8-7(11)5-2-3-6(10)9-4-5/h2-5H,1H3,(H,8,11)/t5-/m0/s1

InChIKey:

VENCKILMSBWPLT-YFKPBYRVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CNC(=O)C1C=CC(=O)N=C1
CACTVS 3.385	CNC(=O)[C@H]1C=CC(=O)N=C1
ACDLabs 12.01	N(C)C(=O)C1C=CC(N=C1)=O
CACTVS 3.385	CNC(=O)[CH]1C=CC(=O)N=C1

Name:

(3S)-N-methyl-6-oxo-3,6-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).