Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 2A/MAP kinase-activated protein kinase 2
Ligand
BDBM235962
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
18±n/a nM
Comments
extracted
Citation
 Selness, SR; Monahan, JB; Schindler, JF; Devadas, B Substituted pyridinone-pyridinyl compounds US Patent  US9365546 Publication Date 6/14/2016 
Target
Name:
5-hydroxytryptamine receptor 2A/MAP kinase-activated protein kinase 2
Synonyms:
p38 MAPK/ MAPKAP kinases MK2 | p38 MAPK/ MAPKAP kinases PRAK
Type:
Protein
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
5-hydroxytryptamine receptor 2A
Synonyms:
5-HT-2 | 5-HT-2A | 5-HT2A | 5-hydroxytryptamine receptor 2A (5-HT-2A) | 5-hydroxytryptamine receptor 2A (5HT-2A) | 5-hydroxytryptamine receptor 2A (5HT2A) | 5HT2A_HUMAN | HTR2 | HTR2A | Serotonin receptor 2A
Type:
undefined
Mol. Mass.:
52607.65
Organism:
Homo sapiens (Human)
Description:
P28223
Residue:
471
Sequence:
MDILCEENTSLSSTTNSLMQLNDDTRLYSNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPSCLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVSFFIPLTIMVITYFLTIKSLQKEATLCVSDLGTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYTGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNEDVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPLQLILVNTIPALAYKSSQLQMGQKKNSKQDAKTTDNDCSMVALGKQHSEEASKDNSDGVNEKVSCV
  
Component 2
Name:
MAP kinase-activated protein kinase 2
Synonyms:
MAP kinase-activated protein kinase 2 (MAPKAPK2) | MAP kinase-activated protein kinase 2 (MK2) | MAP kinase-activated protein kinase 2 (p38/MK2) | MAPK-Activated Protein Kinase 2 (MK2) | MAPK-activated protein kinase 2 | MAPK2_HUMAN | MAPKAP kinase 2 | MAPKAPK-2 | MAPKAPK2 | MK2
Type:
Serine/threonine-protein kinase
Mol. Mass.:
45579.87
Organism:
Homo sapiens (Human)
Description:
P49137
Residue:
400
Sequence:
MLSNSQGQSPPVPFPAPAPPPQPPTPALPHPPAQPPPPPPQQFPQFHVKSGLQIKKNAIIDDYKVTSQVLGLGINGKVLQIFNKRTQEKFALKMLQDCPKARREVELHWRASQCPHIVRIVDVYENLYAGRKCLLIVMECLDGGELFSRIQDRGDQAFTEREASEIMKSIGEAIQYLHSINIAHRDVKPENLLYTSKRPNAILKLTDFGFAKETTSHNSLTTPCYTPYYVAPEVLGPEKYDKSCDMWSLGVIMYILLCGYPPFYSNHGLAISPGMKTRIRMGQYEFPNPEWSEVSEEVKMLIRNLLKTEPTQRMTITEFMNHPWIMQSTKVPQTPLHTSRVLKEDKERWEDVKEEMTSALATMRVDYEQIKIKKIEDASNPLLLKRRKKARALEAAALAH
  
Inhibitor
Name:
BDBM235962
Synonyms:
US9365546, 285
Type:
Small organic molecule
Emp. Form.:
C27H25ClF2N4O2
Mol. Mass.:
510.963
SMILES:
Cc1cnc(cc1-n1c(C)cc(OCc2ccc(F)cc2F)c(Cl)c1=O)-c1ccnc(n1)C(C)(C)C |(-5.33,-1.54,;-4,-2.31,;-4,-3.85,;-2.67,-4.62,;-1.33,-3.85,;-1.33,-2.31,;-2.67,-1.54,;-2.67,,;-1.33,.77,;;-1.33,2.31,;-2.67,3.08,;-2.67,4.62,;-1.33,5.39,;,4.62,;,3.08,;1.33,2.31,;2.67,3.08,;4,2.31,;2.67,4.62,;1.33,5.39,;1.33,6.93,;-4,2.31,;-5.33,3.08,;-4,.77,;-5.33,,;,-4.62,;,-6.16,;1.33,-6.93,;2.67,-6.16,;2.67,-4.62,;1.33,-3.85,;4,-3.85,;5.33,-4.62,;3.23,-2.52,;4.77,-2.52,)|
Structure:
Search PDB for entries with ligand similarity: