BioLiP

PDB

BioLiP

PDB CCD ID:

Q5R

Number of entries in BioLiP:

Chemical formula:

C20 H19 N3 O2

InChI:

InChI=1S/C20H19N3O2/c24-19-14-17(16-8-4-5-9-18(16)21-19)20(25)23-12-10-22(11-13-23)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,21,24)

InChIKey:

NZVVEMCRCLJDCU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)N2CCN(CC2)C(=O)C3=CC(=O)Nc4c3cccc4
CACTVS 3.385	O=C1Nc2ccccc2C(=C1)C(=O)N3CCN(CC3)c4ccccc4
ACDLabs 12.01	O=C(C1=CC(=O)Nc2ccccc21)N1CCN(CC1)c1ccccc1

Name:

4-(4-phenylpiperazine-1-carbonyl)quinolin-2(1H)-one

ChEMBL:

CHEMBL1537296

ZINC:

ZINC000012543379

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).