BioLiP

PDB

BioLiP

PDB CCD ID:

4EO

Number of entries in BioLiP:

Chemical formula:

C15 H14 N2 O3

InChI:

InChI=1S/C15H14N2O3/c1-2-9-7-12(14(19)8-13(9)18)17-11-6-4-3-5-10(11)16-15(17)20/h3-8,18-19H,2H2,1H3,(H,16,20)

InChIKey:

ZNBISFUDIQEGEX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	CCc1cc(c(cc1O)O)N2c3ccccc3NC2=O
CACTVS 3.385	CCc1cc(N2C(=O)Nc3ccccc23)c(O)cc1O
ACDLabs 12.01	O=C2Nc1ccccc1N2c3cc(c(cc3O)O)CC

Name:

1-(5-ethyl-2,4-dihydroxyphenyl)-1,3-dihydro-2H-benzimidazol-2-one

ZINC:

ZINC000584905073

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).