BioLiP

PDB

BioLiP

PDB CCD ID:

WY0

Number of entries in BioLiP:

Chemical formula:

C20 H19 N3 O4

InChI:

InChI=1S/C20H19N3O4/c1-2-13-18(24)23(19(25)22-13)12-6-7-16(21-10-12)27-15-5-3-4-14-17(15)20(8-9-20)11-26-14/h3-7,10,13H,2,8-9,11H2,1H3,(H,22,25)/t13-/m1/s1

InChIKey:

XOWFIAMSTPQWIU-CYBMUJFWSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC[CH]1NC(=O)N(C1=O)c2ccc(Oc3cccc4OCC5(CC5)c34)nc2
OpenEye OEToolkits 2.0.7	CC[C@@H]1C(=O)N(C(=O)N1)c2ccc(nc2)Oc3cccc4c3C5(CC5)CO4
CACTVS 3.385	CC[C@H]1NC(=O)N(C1=O)c2ccc(Oc3cccc4OCC5(CC5)c34)nc2
OpenEye OEToolkits 2.0.7	CCC1C(=O)N(C(=O)N1)c2ccc(nc2)Oc3cccc4c3C5(CC5)CO4

Name:

(5R)-5-ethyl-3-(6-spiro[2H-1-benzofuran-3,1'-cyclopropane]-4-yloxypyridin-3-yl)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).