BioLiP

PDB

BioLiP

PDB CCD ID:

TU8

Number of entries in BioLiP:

Chemical formula:

C16 H12 F N3 O2

InChI:

InChI=1S/C16H12FN3O2/c17-11-7-12(9-18-8-11)20-14(21)16(19-15(20)22)6-5-10-3-1-2-4-13(10)16/h1-4,7-9H,5-6H2,(H,19,22)/t16-/m0/s1

InChIKey:

HDQQGZLJXIFZDY-INIZCTEOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)CCC23C(=O)N(C(=O)N3)c4cc(cnc4)F
CACTVS 3.385	Fc1cncc(c1)N2C(=O)N[C]3(CCc4ccccc34)C2=O
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)CC[C@@]23C(=O)N(C(=O)N3)c4cc(cnc4)F
CACTVS 3.385	Fc1cncc(c1)N2C(=O)N[C@]3(CCc4ccccc34)C2=O

Name:

(3~{S})-3'-(5-fluoranylpyridin-3-yl)spiro[1,2-dihydroindene-3,5'-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).