BioLiP

PDB

BioLiP

PDB CCD ID:

JDD

Number of entries in BioLiP:

Chemical formula:

C24 H28 N6 O2

InChI:

InChI=1S/C24H28N6O2/c1-25-23(31)18-29(20-10-15-28(16-11-20)22-5-2-3-12-26-22)24(32)17-19-6-8-21(9-7-19)30-14-4-13-27-30/h2-9,12-14,20H,10-11,15-18H2,1H3,(H,25,31)

InChIKey:

YEXLLXYWKQMRML-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 1.7.6	CNC(=O)CN(C1CCN(CC1)c2ccccn2)C(=O)Cc3ccc(cc3)n4cccn4

Name:

N-[2-(methylamino)-2-oxidanylidene-ethyl]-2-(4-pyrazol-1-ylphenyl)-N-(1-pyridin-2-ylpiperidin-4-yl)ethanamide

ChEMBL:

CHEMBL4163218

ZINC:

ZINC000584905575

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).