BioLiP

PDB

BioLiP

PDB CCD ID:

WZ7

Number of entries in BioLiP:

Chemical formula:

C11 H13 N3 O

InChI:

InChI=1S/C11H13N3O/c12-11(15)8-5-6-13-10(7-8)14-9-3-1-2-4-9/h1-2,5-7,9H,3-4H2,(H2,12,15)(H,13,14)

InChIKey:

NDEZMUYBKJXUGJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cnc(cc1C(=O)N)NC2CC=CC2
ACDLabs 12.01	c2cnc(NC1CC=CC1)cc2C(=O)N
CACTVS 3.385	NC(=O)c1ccnc(NC2CC=CC2)c1

Name:

2-[(cyclopent-3-en-1-yl)amino]pyridine-4-carboxamide

ZINC:

ZINC000095413916

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).