BioLiP

PDB

BioLiP

PDB CCD ID:

NZN

Number of entries in BioLiP:

Chemical formula:

C16 H26 N4 O3

InChI:

InChI=1S/C16H26N4O3/c1-2-17-14(21)9-10-15(22)18-13-11-16(23)19-20(13)12-7-5-3-4-6-8-12/h11-12H,2-10H2,1H3,(H,17,21)(H,18,22)(H,19,23)

InChIKey:

LPNCMHPJRSJOIM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.4	CCNC(=O)CCC(=O)NC1=CC(=O)NN1C2CCCCCC2
ACDLabs 12.01	O=C(NCC)CCC(NC=1N(NC(C=1)=O)C2CCCCCC2)=O

Name:

N-Ethyl 4-((1-cycloheptyl-1,2-dihydropyrazol-3-one-5-yl)-amino)-4-oxo-butanamide

ZINC:

ZINC000584905639

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).