BioLiP

PDB

BioLiP

PDB CCD ID:

FIR

Number of entries in BioLiP:

Chemical formula:

C12 H10 F N3 O4

InChI:

InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12+/m1/s1

InChIKey:

WAAPEIZFCHNLKK-PELKAZGASA-N

SMILES:

Software	SMILES
ACDLabs 10.04	Fc3ccc2OC(C(=O)N)CC1(C(=O)NC(=O)N1)c2c3
OpenEye OEToolkits 1.5.0	c1cc2c(cc1F)[C@@]3(C[C@@H](O2)C(=O)N)C(=O)NC(=O)N3
CACTVS 3.341	NC(=O)[C@H]1C[C@]2(NC(=O)NC2=O)c3cc(F)ccc3O1
OpenEye OEToolkits 1.5.0	c1cc2c(cc1F)C3(CC(O2)C(=O)N)C(=O)NC(=O)N3
CACTVS 3.341	NC(=O)[CH]1C[C]2(NC(=O)NC2=O)c3cc(F)ccc3O1

Name:

(2R,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE;
FIDARESTAT(STEREOISOMER)

ChEMBL:

CHEMBL84060

ZINC:

ZINC000000005704

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).