7BP-5LZ8
General
Type : Pyrrolidine, Cyanide, tert-Butyl
Chemical_Nomenclature : 5-[2-[(4S)-4-tert-butyl-2-oxopyrrolidin-1-yl]ethoxy]-2-fluorobenzonitrile
Canonical SMILES : CC(C)(C)C1CC(=O)N(C1)CCOC2=CC(=C(C=C2)F)C#N
InChI : InChI=1S\/C17H21FN2O2\/c1-17(2,3)13-9-16(21)20(11-13)6-7-22-14-4-5-15(18)12(8-14)10-19\/h4-5,8,13H,6-7,9,11H2,1-3H3\/t13-\/m1\/s1
InChIKey : ZXBQUZQFTWNQON-CYBMUJFWSA-N
Other name(s) : 5-[2-[(4~{s})-4-~{tert}-Butyl-2-Oxidanylidene-Pyrrolidin-1-Yl]ethoxy]-2-Fluoranyl-Benzenecarbonitrile || 7BP
MW : 304.36
Formula : C17H21FN2O2
CAS_number :
PubChem : 122707119
UniChem : ZXBQUZQFTWNQON-CYBMUJFWSA-N
Target
Families : 7BP-5LZ8 ligand of proteins in family
PAF-Acetylhydrolase
Structure :
5LZ8
Protein :
human-PLA2G7
References (1)
| Title : Fragment-Based Approach to the Development of an Orally Bioavailable Lactam Inhibitor of Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) - Woolford_2016_J.Med.Chem_59_10738 |
| Author(s) : Woolford AJ , Day PJ , Beneton V , Berdini V , Coyle JE , Dudit Y , Grondin P , Huet P , Lee LY , Manas ES , McMenamin RL , Murray CW , Page LW , Patel VK , Potvain F , Rich SJ , Sang Y , Somers DO , Trottet L , Wan Z , Zhang X |
| Ref : Journal of Medicinal Chemistry , 59 :10738 , 2016 |
| Abstract : |
| PubMedSearch : Woolford_2016_J.Med.Chem_59_10738 |
| PubMedID: 27933945 |
| Gene_locus related to this paper: human-PLA2G7 |