Reaction Details Report a problem with these data
Target
Motilin receptor
Ligand
BDBM50421369
Substrate
n/a
Meas. Tech.
ChEMBL_122665 (CHEMBL732795)
pH
2.5±n/a
IC50
8.3±n/a nM
Comments
extracted
Citation
  TBA Bioorg Med Chem Lett 5:835-838 (1995)    Article 
Target
Name:
Motilin receptor
Synonyms:
G-protein coupled receptor 38 | GPR38 | MLNR | MTLR | MTLR1 | MTLR_HUMAN
Type:
PROTEIN
Mol. Mass.:
45365.95
Organism:
Homo sapiens (Human)
Description:
ChEMBL_122664
Residue:
412
Sequence:
MGSPWNGSDGPEGAREPPWPALPPCDERRCSPFPLGALVPVTAVCLCLFVVGVSGNVVTVMLIGRYRDMRTTTNLYLGSMAVSDLLILLGLPFDLYRLWRSRPWVFGPLLCRLSLYVGEGCTYATLLHMTALSVERYLAICRPLRARVLVTRRRVRALIAVLWAVALLSAGPFLFLVGVEQDPGISVVPGLNGTARIASSPLASSPPLWLSRAPPPSPPSGPETAEAAALFSRECRPSPAQLGALRVMLWVTTAYFFLPFLCLSILYGLIGRELWSSRRPLRGPAASGRERGHRQTVRVLLVVVLAFIICWLPFHVGRIIYINTEDSRMMYFSQYFNIVALQLFYLSASINPILYNLISKKYRAAAFKLLLARKSRPRGFHRSRDTAGEVAGDTGGDTVGYTETSANVKTMG
  
Inhibitor
Name:
BDBM50421369
Synonyms:
CHEMBL262052
Type:
Small organic molecule
Emp. Form.:
C39H69NO12
Mol. Mass.:
743.9647
SMILES:
CCC1OC(=O)C(C)C(O[C@H]2C[C@@](C)(OC)[C@@H](O)C(C)O2)C(C)[C@@H](OC2OC(C)CC([C@H]2O)N(C)CC)[C@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)OC |wU:48.53,12.12,wD:23.24,10.9,31.33,46.49,12.13,16.16,37.39,48.52,44.47,c:43,(5.06,-10.02,;5.07,-8.48,;6.17,-7.38,;6.16,-8.92,;7.49,-9.69,;7.49,-11.23,;8.82,-8.92,;10.15,-9.69,;8.82,-7.38,;10.15,-8.15,;11.48,-8.92,;11.46,-10.46,;12.79,-11.23,;11.46,-11.98,;14.12,-12,;14.12,-13.54,;14.12,-10.46,;15.45,-11.23,;14.12,-8.92,;15.45,-8.15,;12.79,-8.15,;10.15,-6.61,;11.48,-7.38,;10.13,-5.07,;11.46,-4.28,;12.79,-3.51,;14.14,-4.28,;15.45,-3.51,;16.8,-4.28,;15.45,-1.97,;14.12,-1.2,;12.79,-1.97,;11.44,-1.2,;14.12,.34,;15.45,1.14,;12.77,1.11,;12.76,2.65,;8.94,-4.11,;10.31,-3.44,;8.94,-2.57,;7.59,-1.83,;7.58,-.29,;6.26,-2.6,;7.35,-3.69,;6.28,-4.14,;4.93,-3.37,;4.95,-4.91,;3.6,-4.14,;4.95,-6.45,;4.18,-7.78,;3.45,-6.05,;2.12,-6.8,)|
Structure:
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