BioLiP

PDB

BioLiP

PDB CCD ID:

973

Number of entries in BioLiP:

Chemical formula:

C21 H13 Cl O3

InChI:

InChI=1S/C21H13ClO3/c22-16-10-8-14(9-11-16)19-20(23)18(25-21(19)24)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-12,23H/b18-12-

InChIKey:

PLGHLEBIWUQEPR-PDGQHHTCSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)cccc2C=C3C(=C(C(=O)O3)c4ccc(cc4)Cl)O
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)cccc2\C=C/3\C(=C(C(=O)O3)c4ccc(cc4)Cl)O
CACTVS 3.341	OC1=C(C(=O)OC1=Cc2cccc3ccccc23)c4ccc(Cl)cc4
CACTVS 3.341	OC/1=C(C(=O)OC/1=C/c2cccc3ccccc23)c4ccc(Cl)cc4
ACDLabs 10.04	O=C2O/C(C(O)=C2c1ccc(Cl)cc1)=C\c4c3ccccc3ccc4

Name:

(5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY-5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)-ONE

ChEMBL:

CHEMBL197865

DrugBank:

DB07296

ZINC:

ZINC000028565517

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).