BioLiP

PDB

BioLiP

PDB CCD ID:

KO8

Number of entries in BioLiP:

Chemical formula:

C25 H31 F N4 O3

InChI:

InChI=1S/C25H31FN4O3/c1-17(2)14-30-24(31)16-29(25(30)32)15-18-3-5-19(6-4-18)22-8-7-21(26)23(28-22)13-27-20-9-11-33-12-10-20/h3-8,17,20,27H,9-16H2,1-2H3

InChIKey:

XYXSWNWZKLEZLR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)CN1C(=O)CN(C1=O)Cc2ccc(cc2)c3ccc(c(n3)CNC4CCOCC4)F
CACTVS 3.385	CC(C)CN1C(=O)CN(Cc2ccc(cc2)c3ccc(F)c(CNC4CCOCC4)n3)C1=O

Name:

1-[[4-[5-fluoranyl-6-[(oxan-4-ylamino)methyl]pyridin-2-yl]phenyl]methyl]-3-(2-methylpropyl)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).