BioLiP

PDB

BioLiP

PDB CCD ID:

UAJ

Number of entries in BioLiP:

Chemical formula:

C23 H15 Cl O3

InChI:

InChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23(27)20-21(25)17-8-4-5-9-18(17)22(20)26/h1-13,19-20H/t19-/m1/s1

InChIKey:

UDHXJZHVNHGCEC-LJQANCHMSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C(c2ccc(cc2)Cl)C(=O)C3C(=O)c4ccccc4C3=O
CACTVS 3.385	Clc1ccc(cc1)[C@H](C(=O)C2C(=O)c3ccccc3C2=O)c4ccccc4
OpenEye OEToolkits 2.0.7	c1ccc(cc1)[C@H](c2ccc(cc2)Cl)C(=O)C3C(=O)c4ccccc4C3=O
ACDLabs 12.01	c1ccc(cc1)C(C(C3C(=O)c2ccccc2C3=O)=O)c4ccc(Cl)cc4
CACTVS 3.385	Clc1ccc(cc1)[CH](C(=O)C2C(=O)c3ccccc3C2=O)c4ccccc4

Name:

Chlorophacinone;
2-[(2R)-2-(4-chlorophenyl)-2-phenylacetyl]-1H-indene-1,3(2H)-dione

ZINC:

ZINC000100038034

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).