BioLiP

PDB

BioLiP

PDB CCD ID:

U26

Number of entries in BioLiP:

Chemical formula:

C19 H14 F N3 O2

InChI:

InChI=1S/C19H14FN3O2/c20-15-7-5-13(6-8-15)11-22-12-18(24)23(19(22)25)17-10-21-9-14-3-1-2-4-16(14)17/h1-10H,11-12H2

InChIKey:

ZKUHTBIQDMFRSK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Fc1ccc(CN2CC(=O)N(C2=O)c3cncc4ccccc34)cc1
ACDLabs 12.01	Fc1ccc(CN2CC(=O)N(C2=O)c2cncc3ccccc32)cc1
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)cncc2N3C(=O)CN(C3=O)Cc4ccc(cc4)F

Name:

(3P)-1-[(4-fluorophenyl)methyl]-3-(isoquinolin-4-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).