BioLiP

PDB

BioLiP

PDB CCD ID:

YSY

Number of entries in BioLiP:

Chemical formula:

C13 H10 F N3

InChI:

InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1

InChIKey:

USUZGMWDZDXMDG-CYBMUJFWSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Fc1cc(ccc1[C@H]2CCc3cncn23)C#N
OpenEye OEToolkits 2.0.7	c1cc(c(cc1C#N)F)[C@H]2CCc3n2cnc3
CACTVS 3.385	Fc1cc(ccc1[CH]2CCc3cncn23)C#N
OpenEye OEToolkits 2.0.7	c1cc(c(cc1C#N)F)C2CCc3n2cnc3
ACDLabs 12.01	N#Cc1ccc(C2CCc3cncn32)c(F)c1

Name:

4-[(4R,5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile;
Osilodrostat

ChEMBL:

CHEMBL3099695

DrugBank:

DB11837

ZINC:

ZINC000072318114

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).