Reaction Details Report a problem with these data
Target
G-protein coupled receptor 4
Ligand
BDBM123499
Substrate
n/a
Meas. Tech.
Radio Ligand Binding Assay
pH
8±n/a
IC50
54±n/a nM
Citation
 Miltz, W; Oberhauser, B; Vaupel, A; Velcicky, J; Weigand, K; Leleti, RR; Liu, Y; Du, Z Pyrazolo pyrimidine derivatives US Patent  US8748435 Publication Date 6/10/2014 
Target
Name:
G-protein coupled receptor 4
Synonyms:
G-protein coupled receptor 4 | G-protein coupled receptor 4 (GPR4) | GPR4 | GPR4_HUMAN
Type:
Enzyme
Mol. Mass.:
40994.40
Organism:
Homo sapiens (Human)
Description:
P46093
Residue:
362
Sequence:
MGNHTWEGCHVDSRVDHLFPPSLYIFVIGVGLPTNCLALWAAYRQVQQRNELGVYLMNLSIADLLYICTLPLWVDYFLHHDNWIHGPGSCKLFGFIFYTNIYISIAFLCCISVDRYLAVAHPLRFARLRRVKTAVAVSSVVWATELGANSAPLFHDELFRDRYNHTFCFEKFPMEGWVAWMNLYRVFVGFLFPWALMLLSYRGILRAVRGSVSTERQEKAKIKRLALSLIAIVLVCFAPYHVLLLSRSAIYLGRPWDCGFEERVFSAYHSSLAFTSLNCVADPILYCLVNEGARSDVAKALHNLLRFLASDKPQEMANASLTLETPLTSKRNSTAKAMTGSWAATPPSQGDQVQLKMLPPAQ
  
Inhibitor
Name:
BDBM123499
Synonyms:
US8748435, 24
Type:
Small organic molecule
Emp. Form.:
C29H39N5O3
Mol. Mass.:
505.6517
SMILES:
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OC[C@H]2CC[C@H](CC2)NC(=O)[C@H]2NCC[C@H]2O)cc1 |r,wU:20.21,23.28,wD:29.31,33.37,(-8.55,4.84,;-9.64,3.75,;-9.24,2.26,;-9.87,.85,;-8.72,-.18,;-8.72,-1.72,;-10.06,-2.49,;-7.39,-2.49,;-6.06,-1.72,;-4.72,-2.49,;-6.06,-.18,;-7.39,.59,;-7.71,2.1,;-6.62,3.19,;-5.13,2.79,;-4.73,1.3,;-3.25,.9,;-2.16,1.99,;-.67,1.59,;-.27,.11,;1.22,-.29,;2.3,.8,;3.79,.4,;4.19,-1.09,;3.1,-2.18,;1.61,-1.78,;5.68,-1.49,;6.08,-2.97,;4.99,-4.06,;7.56,-3.37,;8.04,-4.84,;9.58,-4.84,;10.06,-3.37,;8.81,-2.47,;8.81,-.93,;-2.56,3.48,;-4.04,3.88,)|
Structure:
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