Reaction Details Report a problem with these data
Target
Motilin receptor
Ligand
BDBM50344952
Substrate
n/a
Meas. Tech.
ChEMBL_591410 (CHEMBL1054530)
EC50
7±n/a nM
Citation
 Shaw, SJ; Chen, Y; Zheng, H; Fu, H; Burlingame, MA; Marquez, S; Li, Y; Claypool, M; Carreras, CW; Crumb, W; Hardy, DJ; Myles, DC; Liu, Y Structure-activity relationships of 9-substituted-9-dihydroerythromycin-based motilin agonists: optimizing for potency and safety. J Med Chem 52:6851-9 (2009) [PubMed]  Article 
Target
Name:
Motilin receptor
Synonyms:
n/a
Type:
n/a
Mol. Mass.:
43771.25
Organism:
Oryctolagus cuniculus
Description:
n/a
Residue:
400
Sequence:
MGSPWNGSDGPEDAREPPWAALPPCDERRCSPFPLGTLVPVTAVCLGLFAVGVSGNVVTVLLIGRYRDMRTTTNLYLGSMAVSDLLILLGLPFDLYRLWRSRPWVFGQLLCRLSLYVGEGCTYASLLHMTALSVERYLAICRPLRARVLVTRRRVRALIAALWAVALLSAGPFFFLVGVEQDPAVFAAPDRNGTVPLDPSSPAPASPPSGPGAEAAALFSRECRPSRAQLGLLRVMLWVTTAYFFLPFLCLSILYGLIARQLWRGRGPLRGPAATGRERGHRQTVRVLLVVVLAFIVCWLPFHVGRIIYINTQDSRMMYFSQYFNIVALQLFYLSASINPILYNLISKKYRAAARRLLRESRAGPSGVCGSRGPEQDVAGDTGGDTAGCTETSANTKTAA
  
Inhibitor
Name:
BDBM50344952
Synonyms:
(2R,3S,4R,5R,8R,9S,10S,11R,12S)-5-ethyl-11-((2S,3R,4S,6R)-4-(ethyl(methyl)amino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)-3-hydroxy-9-((2S,4S,6S)-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yloxy)-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one | 5-Ethyl-11-[4-(ethyl-methyl-amino)-3-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy]-3-hydroxy-9-(4-methoxy-4,6-dimethyl-tetrahydro-pyran-2-yloxy)-2,4,8,10,12,14-hexamethyl-6,15-dioxa-bicyclo[10.2.1]pentadec-1(14)-en-7-one | ABT-229 | CHEMBL1628277
Type:
Small organic molecule
Emp. Form.:
C38H67NO10
Mol. Mass.:
697.9393
SMILES:
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(C[C@@H](C)O2)OC)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)CC)[C@@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@H]1C |wU:24.24,8.8,29.33,36.38,6.6,20.21,2.1,12.12,26.27,wD:22.23,10.9,30.32,45.48,12.18,43.46,47.51,15.15,c:42,(6.35,-6.68,;6.37,-5.14,;7.71,-4.39,;7.7,-5.93,;9.03,-6.7,;9.01,-8.24,;10.37,-5.93,;11.7,-6.7,;10.37,-4.39,;11.7,-5.16,;13.03,-5.93,;13.03,-7.47,;14.35,-8.24,;13.56,-9.57,;15.69,-7.47,;15.69,-5.95,;17.02,-5.16,;14.36,-5.16,;15.1,-9.57,;16.64,-9.57,;11.71,-3.64,;13.04,-4.42,;11.72,-2.1,;13.05,-1.34,;14.38,-.56,;15.71,-1.31,;17.04,-.56,;18.37,-1.33,;17.04,.98,;15.71,1.77,;14.38,.98,;13.05,1.75,;15.71,3.31,;17.04,4.08,;14.38,4.08,;14.38,5.62,;10.39,-1.31,;11.72,-.54,;10.39,.23,;9.06,1,;9.08,2.54,;7.73,.23,;8.82,-.85,;7.72,-1.31,;6.38,-.54,;6.39,-2.08,;5.06,-1.29,;6.38,-3.62,;5.04,-4.35,)|
Structure:
Search PDB for entries with ligand similarity: