BioLiP

PDB

BioLiP

PDB CCD ID:

UIY

Number of entries in BioLiP:

Chemical formula:

C22 H24 N4 O3

InChI:

InChI=1S/C22H24N4O3/c1-3-28-14-16-5-4-15(2)19(12-16)25-21-24-13-20(29-21)17-6-8-18(9-7-17)26-11-10-23-22(26)27/h4-9,12-13H,3,10-11,14H2,1-2H3,(H,23,27)(H,24,25)

InChIKey:

ZBAFYGYLXHEICJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCOCc1ccc(C)c(Nc2oc(cn2)c3ccc(cc3)N4CCNC4=O)c1
OpenEye OEToolkits 2.0.7	CCOCc1ccc(c(c1)Nc2ncc(o2)c3ccc(cc3)N4CCNC4=O)C

Name:

AB-8939;
1-[4-[2-[[5-(ethoxymethyl)-2-methyl-phenyl]amino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one

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).