Reaction Details Report a problem with these data
Target
Prokineticin receptor 1
Ligand
BDBM349644
Substrate
n/a
Meas. Tech.
BIOLOGICAL ASSAY
IC50
760±n/a nM
Citation
 Mitchell, P; Teall, M Sulfonyl piperidine derivatives and their use for treating prokineticin mediated gastrointestinal disorders US Patent  US10335402 Publication Date 7/2/2019 
Target
Name:
Prokineticin receptor 1
Synonyms:
G-protein coupled receptor 73 | G-protein coupled receptor ZAQ | GPR73 | GPR73a | PK-R1 | PKR1 | PKR1_HUMAN | PROKR1
Type:
enzyme
Mol. Mass.:
44779.92
Organism:
Homo sapiens (Human)
Description:
Q8TCW9
Residue:
393
Sequence:
METTMGFMDDNATNTSTSFLSVLNPHGAHATSFPFNFSYSDYDMPLDEDEDVTNSRTFFAAKIVIGMALVGIMLVCGIGNFIFIAALVRYKKLRNLTNLLIANLAISDFLVAIVCCPFEMDYYVVRQLSWEHGHVLCTSVNYLRTVSLYVSTNALLAIAIDRYLAIVHPLRPRMKCQTATGLIALVWTVSILIAIPSAYFTTETVLVIVKSQEKIFCGQIWPVDQQLYYKSYFLFIFGIEFVGPVVTMTLCYARISRELWFKAVPGFQTEQIRKRLRCRRKTVLVLMCILTAYVLCWAPFYGFTIVRDFFPTVFVKEKHYLTAFYIVECIAMSNSMINTLCFVTVKNDTVKYFKKIMLLHWKASYNGGKSSADLDLKTIGMPATEEVDCIRLK
  
Inhibitor
Name:
BDBM349644
Synonyms:
4-(4-Chlorobenzylidene)-1-((3,5-dimethyl-1H-pyrazol-4-yl) sulfonyl)piperidine | US10208016, Compound of Example 14 | US10335402, Example 14
Type:
Small organic molecule
Emp. Form.:
C17H20ClN3O2S
Mol. Mass.:
365.878
SMILES:
Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(CC1)=Cc1ccc(Cl)cc1 |(-6.95,-1.65,;-6.18,-.32,;-7.08,.93,;-6.18,2.18,;-4.71,1.7,;-3.38,2.47,;-4.71,.16,;-3.22,-.24,;-2.83,1.25,;-3.62,-1.73,;-1.74,-.64,;-1.34,-2.12,;.15,-2.52,;1.24,-1.43,;.84,.05,;-.65,.45,;2.73,-1.83,;3.81,-.74,;5.3,-1.14,;6.39,-.05,;5.99,1.43,;7.08,2.52,;4.51,1.83,;3.42,.74,)|
Structure:
Search PDB for entries with ligand similarity: