BioLiP

PDB

BioLiP

PDB CCD ID:

B5H

Number of entries in BioLiP:

Chemical formula:

C10 H7 Br N2 O2

InChI:

InChI=1S/C10H7BrN2O2/c11-7-3-1-2-6(4-7)5-8-9(14)13-10(15)12-8/h1-5H,(H2,12,13,14,15)/b8-5-

InChIKey:

CFJZPYYYXHXWSB-YVMONPNESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1cc(cc(c1)Br)C=C2C(=O)NC(=O)N2
CACTVS 3.385	Brc1cccc(c1)C=C2NC(=O)NC2=O
OpenEye OEToolkits 1.7.6	c1cc(cc(c1)Br)/C=C\2/C(=O)NC(=O)N2
CACTVS 3.385	Brc1cccc(c1)\C=C2/NC(=O)NC2=O
ACDLabs 12.01	O=C2NC(=C\c1cc(Br)ccc1)/C(=O)N2

Name:

(5Z)-5-[(3-bromophenyl)methylidene]imidazolidine-2,4-dione

ChEMBL:

CHEMBL39848

ZINC:

ZINC000016386114

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).