BioLiP

PDB

BioLiP

PDB CCD ID:

8DQ

Number of entries in BioLiP:

Chemical formula:

C19 H18 N2 O2

InChI:

InChI=1S/C19H18N2O2/c22-17-13-18(21-11-9-20-10-12-21)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13,20H,9-12H2

InChIKey:

NGAGMBNBKCDCDJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCNCC4
CACTVS 3.385	O=C1C=C(Oc2c1cccc2c3ccccc3)N4CCNCC4
ACDLabs 12.01	O=C1c3c(OC(=C1)N2CCNCC2)c(ccc3)c4ccccc4

Name:

8-phenyl-2-piperazin-1-yl-chromen-4-one

ChEMBL:

CHEMBL1363184

ZINC:

ZINC000002507616

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).