Target
Neuromedin-K receptor
Ligand
BDBM50220136
Substrate
n/a
Meas. Tech.
ChEMBL_883449 (CHEMBL2215524)
Ki
454.1±n/a nM
Citation
 Bissantz, CBohnert, CHoffmann, TMarcuz, ASchnider, PMalherbe, P Identification of a crucial amino acid in the helix position 6.51 of human tachykinin neurokinin 1 and 3 receptors contributing to the insurmountable mode of antagonism by dual NK1/NK3 antagonists. J Med Chem 55:5061-76 (2012) [PubMed]  Article 
Target
Name:
Neuromedin-K receptor
Synonyms:
NK-3 receptor | NK-3R | NK3R | NK3R_HUMAN | NKR | Neurokinin 3 receptor | Neurokinin B receptor | Neurokinin-3 (NK-3) | Neuromedin-3 receptor (NK-3R) | Neuromedin-3 receptor (NK3) | Neuromedin-K receptor | Neuromedin-K receptor (NK-3 receptor) | Neuromedin-K receptor (NK3) | Neuromedin-K receptor(NK3R) | TAC3R | TACR3 | Tachykinin receptor 3 | Tachykinin receptor 3 (NK3)
Type:
Enzyme
Mol. Mass.:
52221.96
Organism:
Homo sapiens (Human)
Description:
P29371
Residue:
465
Sequence:
MATLPAAETWIDGGGGVGADAVNLTASLAAGAATGAVETGWLQLLDQAGNLSSSPSALGLPVASPAPSQPWANLTNQFVQPSWRIALWSLAYGVVVAVAVLGNLIVIWIILAHKRMRTVTNYFLVNLAFSDASMAAFNTLVNFIYALHSEWYFGANYCRFQNFFPITAVFASIYSMTAIAVDRYMAIIDPLKPRLSATATKIVIGSIWILAFLLAFPQCLYSKTKVMPGRTLCFVQWPEGPKQHFTYHIIVIILVYCFPLLIMGITYTIVGITLWGGEIPGDTCDKYHEQLKAKRKVVKMMIIVVMTFAICWLPYHIYFILTAIYQQLNRWKYIQQVYLASFWLAMSSTMYNPIIYCCLNKRFRAGFKRAFRWCPFIKVSSYDELELKTTRFHPNRQSSMYTVTRMESMTVVFDPNDADTTRSSRKKRATPRDPSFNGCSRRNSKSASATSSFISSPYTSVDEYS
  
Inhibitor
Name:
BDBM50220136
Synonyms:
3-[2-{1-[3,5-di(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)-1,4-oxazinan-4-ylmethyl]-4,5-dihydro-1H-1,2,4-triazol-5-one | 5-(((2R,3S)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)methyl)-2H-1,2,4-triazol-3(4H)-one | 5-[(2R,3S)-2-[(R)-1-(3,5-Bis-trifluoromethyl-phenyl)-ethoxy]-3-(4-fluoro-phenyl)-morpholin-4-ylmethyl]-2,4-dihydro-[1,2,4]triazol-3-one | 5-[2-[1-(3,5-Bis-trifluoromethyl-phenyl)-ethoxy]-3-(4-fluoro-phenyl)-morpholin-4-ylmethyl]-2,4-dihydro-[1,2,4]triazol-3-one | APREPITANT | CHEMBL1471 | Emend | MK-0869 | MK-869 | US10011568, Aprepitant | US10100030, Aprepitant
Type:
Small organic molecule
Emp. Form.:
C23H21F7N4O3
Mol. Mass.:
534.4267
SMILES:
C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Structure:
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