Reaction Details Report a problem with these data
Target
Substance-K receptor
Ligand
BDBM50116729
Substrate
n/a
Meas. Tech.
ChEBML_209036
Ki
1.2±n/a nM
Citation
 Reichard, GA; Grice, CA; Shih, NY; Spitler, J; Majmundar, S; Wang, SD; Paliwal, S; Anthes, JC; Piwinski, JJ Preparation of oxime dual NK(1)/NK(2) antagonists with reduced NK(3) affinity. Bioorg Med Chem Lett 12:2355-8 (2002) [PubMed]  Article 
Target
Name:
Substance-K receptor
Synonyms:
NK-2 receptor | NK-2R | NK2R | NK2R_HUMAN | NKNAR | Neurokinin 2 receptor | Neurokinin A receptor | Neurokinin NK2 | Neurokinin-2 (NK-2) | Neuromedin-2 receptor (NK-2R) | SKR | TAC2R | TACR2 | Tachykinin receptor 2 | Tachykinin receptor 2 (NK2) | hnk-3
Type:
Protein
Mol. Mass.:
44455.78
Organism:
Homo sapiens (Human)
Description:
P21452
Residue:
398
Sequence:
MGTCDIVTEANISSGPESNTTGITAFSMPSWQLALWATAYLALVLVAVTGNAIVIWIILAHRRMRTVTNYFIVNLALADLCMAAFNAAFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPSTKAVIAGIWLVALALASPQCFYSTVTMDQGATKCVVAWPEDSGGKTLLLYHLVVIALIYFLPLAVMFVAYSVIGLTLWRRAVPGHQAHGANLRHLQAMKKFVKTMVLVVLTFAICWLPYHLYFILGSFQEDIYCHKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTKEDKLELTPTTSLSTRVNRCHTKETLFMAGDTAPSEATSGEAGRPQDGSGLWFGYGLLAPTKTHVEI
  
Inhibitor
Name:
BDBM50116729
Synonyms:
(R)-2-[3-(1-{(R)-5-[(3,5-Dichloro-benzoyl)-methyl-amino]-3-(3,4-dichloro-phenyl)-4-[(Z)-methoxyimino]-pentyl}-piperidin-4-yl)-2-oxo-tetrahydro-pyrimidin-1-yl]-3-(4-hydroxy-phenyl)-propionic acid ethyl ester | CHEMBL75698
Type:
Small organic molecule
Emp. Form.:
C40H47Cl4N5O6
Mol. Mass.:
835.643
SMILES:
CCOC(=O)[C@@H](Cc1ccc(O)cc1)N1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O
Structure:
Search PDB for entries with ligand similarity: