MB064
DAGL-alpha sensitive ABP, IC50 of 6.0+/-1.0 nM
General
Type : ABPP-Probe
Chemical_Nomenclature : 3-[2,2-difluoro-4-[4-[3-[4-[4-[(2S,3S)-2-[(2S)-2-[(2S)-2-formamido-4-methylpentanoyl]oxytridecyl]-4-oxooxetan-3-yl]butyl]triazol-1-yl]propoxy]phenyl]-10,12-dimethyl-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-11-yl]propanoic acid
Canonical SMILES : [B-]1(C2C(=CC=C2C3=CC=C(C=C3)OCCCN4C=C(N=N4)CCCCC5C(OC5=O)CC(CCCCCCCCCCC)OC(=O)C(CC(C)C)NC=O)C=C6[N+]1=C(C(=C6C)CCC(=O)O)C)(F)F
InChI : InChI=1S\/C53H74BF2N5O8\/c1-6-7-8-9-10-11-12-13-14-19-43(68-53(66)47(57-35-62)31-36(2)3)33-49-46(52(65)69-49)20-16-15-18-41-34-60(59-58-41)29-17-30-67-42-24-21-39(22-25-42)45-26-23-40-32-48-37(4)44(27-28-50(63)64)38(5)61(48)54(55,56)51(40)45\/h21-26,32,34-36,43,46-47,49,51H,6-20,27-31,33H2,1-5H3,(H,57,62)(H,63,64)\/t43-,46-,47-,49-,51?\/m0\/s1
InChIKey : ZVSKIMNEPNICOC-UXLZAGQHSA-N
Other name(s) :
MW : 958.0
Formula : C53H74BF2N5O8
CAS_number :
PubChem : 72736619
UniChem : ZVSKIMNEPNICOC-UXLZAGQHSA-N
IUPHAR :
Wikipedia :
Target
References (3)
| Title : Activity-Based Protein Profiling Identifies alpha-Ketoamides as Inhibitors for Phospholipase A2 Group XVI - Zhou_2019_ACS.Chem.Biol_14_164 |
| Author(s) : Zhou J , Mock ED , Martella A , Kantae V , Di X , Burggraaff L , Baggelaar MP , Al-Ayed K , Bakker A , Florea BI , Grimm SH , den Dulk H , Li CT , Mulder L , Overkleeft HS , Hankemeier T , van Westen GJP , van der Stelt M |
| Ref : ACS Chemical Biology , 14 :164 , 2019 |
| Abstract : Zhou_2019_ACS.Chem.Biol_14_164 |
| ESTHER : Zhou_2019_ACS.Chem.Biol_14_164 |
| PubMedSearch : Zhou_2019_ACS.Chem.Biol_14_164 |
| PubMedID: 30620559 |
| Title : Development of a Multiplexed Activity-Based Protein Profiling Assay to Evaluate Activity of Endocannabinoid Hydrolase Inhibitors - Janssen_2018_ACS.Chem.Biol_13_2406 |
| Author(s) : Janssen APA , van der Vliet D , Bakker AT , Jiang M , Grimm SH , Campiani G , Butini S , van der Stelt M |
| Ref : ACS Chemical Biology , 13 :2406 , 2018 |
| Abstract : Janssen_2018_ACS.Chem.Biol_13_2406 |
| ESTHER : Janssen_2018_ACS.Chem.Biol_13_2406 |
| PubMedSearch : Janssen_2018_ACS.Chem.Biol_13_2406 |
| PubMedID: 30199617 |
| Title : Development of an activity-based probe and in silico design reveal highly selective inhibitors for diacylglycerol lipase-alpha in brain - |
| Author(s) : Baggelaar MP , Janssen FJ , van Esbroeck AC , den Dulk H , Allara M , Hoogendoorn S , McGuire R , Florea BI , Meeuwenoord N , van den Elst H , van der Marel GA , Brouwer J , Di Marzo V , Overkleeft HS , van der Stelt M |
| Ref : Angew Chem Int Ed Engl , 52 :12081 , 2013 |
| PubMedID: 24173880 |
| Gene_locus related to this paper: human-DAGLA |