BioLiP

PDB

BioLiP

PDB CCD ID:

XHC

Number of entries in BioLiP:

Chemical formula:

C25 H22 Cl2 N2 O2

InChI:

InChI=1S/C25H22Cl2N2O2/c1-16-3-8-20(9-4-16)25(2)23(30)29(24(31)28-25)15-18-7-12-22(27)19(14-18)13-17-5-10-21(26)11-6-17/h3-12,14H,13,15H2,1-2H3,(H,28,31)/t25-/m0/s1

InChIKey:

DQRPBPYBCXLUNW-VWLOTQADSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Clc1ccc(cc1)Cc1cc(CN2C(=O)C(C)(NC2=O)c2ccc(C)cc2)ccc1Cl
OpenEye OEToolkits 2.0.7	Cc1ccc(cc1)C2(C(=O)N(C(=O)N2)Cc3ccc(c(c3)Cc4ccc(cc4)Cl)Cl)C
CACTVS 3.385	Cc1ccc(cc1)[C]2(C)NC(=O)N(Cc3ccc(Cl)c(Cc4ccc(Cl)cc4)c3)C2=O
CACTVS 3.385	Cc1ccc(cc1)[C@]2(C)NC(=O)N(Cc3ccc(Cl)c(Cc4ccc(Cl)cc4)c3)C2=O
OpenEye OEToolkits 2.0.7	Cc1ccc(cc1)[C@]2(C(=O)N(C(=O)N2)Cc3ccc(c(c3)Cc4ccc(cc4)Cl)Cl)C

Name:

(5S)-3-({4-chloro-3-[(4-chlorophenyl)methyl]phenyl}methyl)-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione

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).