Reaction Details Report a problem with these data
Target
Substance-K receptor
Ligand
BDBM50476247
Substrate
n/a
Meas. Tech.
ChEMBL_430641 (CHEMBL918150)
Ki
0.025119±n/a nM
Citation
 Fedi, V; Altamura, M; Balacco, G; Canfarini, F; Criscuoli, M; Giannotti, D; Giolitti, A; Giuliani, S; Guidi, A; Harmat, NJ; Nannicini, R; Pasqui, F; Patacchini, R; Perrotta, E; Tramontana, M; Triolo, A; Maggi, CA Insertion of an aspartic acid moiety into cyclic pseudopeptides: synthesis and biological characterization of potent antagonists for the human Tachykinin NK-2 receptor. J Med Chem 47:6935-47 (2004) [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:
BDBM50476247
Synonyms:
CHEMBL224081
Type:
Small organic molecule
Emp. Form.:
C38H44N6O5S
Mol. Mass.:
696.858
SMILES:
[O-][S+]1CCC(CC1)N[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O |r,wU:27.30,13.14,wD:38.42,8.8,(8.17,-3.99,;8.18,-5.53,;9.51,-6.29,;9.52,-7.83,;8.19,-8.6,;6.85,-7.85,;6.84,-6.3,;8.2,-10.14,;6.87,-10.92,;6.83,-12.46,;5.44,-13.07,;4.09,-12.32,;5.39,-14.62,;4.32,-15.41,;4.27,-16.95,;2.9,-17.67,;1.52,-17,;.45,-18.1,;1.17,-19.46,;.64,-20.9,;1.62,-22.08,;3.14,-21.81,;3.67,-20.37,;2.68,-19.2,;3.06,-14.51,;3.09,-12.97,;1.85,-15.46,;.45,-14.76,;-.87,-15.56,;-2.2,-14.79,;-2.2,-13.25,;-3.53,-12.48,;-4.87,-13.25,;-4.86,-14.8,;-3.52,-15.56,;.49,-13.23,;-.78,-12.36,;1.91,-12.63,;1.71,-11.09,;.39,-10.29,;.43,-8.75,;1.78,-8.02,;1.81,-6.48,;.5,-5.68,;-.86,-6.42,;-.89,-7.96,;3.03,-10.3,;4.29,-11.19,;5.48,-10.23,;5.52,-8.69,)|
Structure:
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