BioLiP

PDB

BioLiP

PDB CCD ID:

ZKU

Number of entries in BioLiP:

Chemical formula:

C15 H16 N4 O3

InChI:

InChI=1S/C15H16N4O3/c20-14(12-4-3-11-22-12)18-7-9-19(10-8-18)15(21)17-13-5-1-2-6-16-13/h1-6,11H,7-10H2,(H,16,17,21)

InChIKey:

KPHBWCVSZXZCHM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C(Nc1ccccn1)N2CCN(CC2)C(=O)c3occc3
ACDLabs 12.01	O=C(N1CCN(CC1)C(=O)Nc1ccccn1)c1ccco1
OpenEye OEToolkits 2.0.7	c1ccnc(c1)NC(=O)N2CCN(CC2)C(=O)c3ccco3

Name:

4-(furan-2-carbonyl)-N-(pyridin-2-yl)piperazine-1-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).