BioLiP

PDB

BioLiP

PDB CCD ID:

A1C9Y

Number of entries in BioLiP:

Chemical formula:

C11 H14 N2 O2

InChI:

InChI=1S/C11H14N2O2/c1-7(8-4-5-8)13-11(15)9-3-2-6-12-10(9)14/h2-3,6-8H,4-5H2,1H3,(H,12,14)(H,13,15)/t7-/m0/s1

InChIKey:

JWAIUNSAJMVLEO-ZETCQYMHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[C@H](NC(=O)C1=CC=CNC1=O)C2CC2
CACTVS 3.385	C[CH](NC(=O)C1=CC=CNC1=O)C2CC2
ACDLabs 14.52	O=C(NC(C)C1CC1)C1=CC=CNC1=O
OpenEye OEToolkits 3.1.0.0	CC(C1CC1)NC(=O)C2=CC=CNC2=O
OpenEye OEToolkits 3.1.0.0	C[C@@H](C1CC1)NC(=O)C2=CC=CNC2=O

Name:

N-[(1S)-1-cyclopropylethyl]-2-oxo-1,2-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).