BioLiP

PDB

BioLiP

PDB CCD ID:

A1AW4

Number of entries in BioLiP:

Chemical formula:

C9 H10 N2 O

InChI:

InChI=1S/C9H10N2O/c12-9(7-1-2-7)11-8-3-5-10-6-4-8/h3-7H,1-2H2,(H,10,11,12)

InChIKey:

GDEWBNVTMKLWQJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C(Nc1ccncc1)C2CC2
ACDLabs 12.01	O=C(Nc1ccncc1)C1CC1
OpenEye OEToolkits 2.0.7	c1cnccc1NC(=O)C2CC2

Name:

N-(pyridin-4-yl)cyclopropanecarboxamide

ChEMBL:

CHEMBL3127518

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).