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Target
Substance-K receptor
Ligand
BDBM50323867
Substrate
n/a
Meas. Tech.
ChEMBL_647568 (CHEMBL1217615)
IC50
661±n/a nM
Citation
 Yamamoto, T; Nair, P; Jacobsen, NE; Kulkarni, V; Davis, P; Ma, SW; Navratilova, E; Yamamura, HI; Vanderah, TW; Porreca, F; Lai, J; Hruby, VJ Biological and conformational evaluation of bifunctional compounds for opioid receptor agonists and neurokinin 1 receptor antagonists possessing two penicillamines. J Med Chem 53:5491-501 (2010) [PubMed]  Article 
Target
Name:
Substance-K receptor
Synonyms:
NK-2 receptor | NK-2R | NK2R_RAT | Neurokinin 2 receptor | Neurokinin A receptor | Neurokinin NK2 | SKR | Substance-K receptor | Tac2r | Tachykinin receptor 2 | Tacr2
Type:
Enzyme Catalytic Domain
Mol. Mass.:
43868.63
Organism:
Rattus norvegicus (Rat)
Description:
Neurokinin NK2 TACR2 Murine::P16610
Residue:
390
Sequence:
MGTRAIVSDANILSGLESNATGVTAFSMPGWQLALWATAYLALVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFIYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPSTKAIIAGIWLVALALASPQCFYSTITVDEGATKCVVAWPNDNGGKMLLLYHLVVFVLIYFLPLLVMFGAYSVIGLTLWKRAVPRHQAHGANLRHLQAKKKFVKAMVLVVLTFAICWLPYHLYFILGTFQEDIYYHKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTHTPSLSRRVNRCHTKETLFMTGDMTHSEATNGQVGSPQDGEPAGPICKAQA
  
Inhibitor
Name:
BDBM50323867
Synonyms:
(S)-1-((3S,8R,14S,17S,22aS)-8-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-14-benzyl-17-butyl-4,4,7,7-tetramethyl-1,9,12,15,18-pentaoxoicosahydropyrrolo[2,1-g][1,2,5,8,11,14,17]dithiapentaazacycloicosine-3-carbonyl)-N-((S)-1-((S)-1-(3,5-bis(trifluoromethyl)benzylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-ylamino)-4-methyl-1-oxopentan-2-yl)pyrrolidine-2-carboxamide | CHEMBL1214026
Type:
Small organic molecule
Emp. Form.:
C72H90F6N12O11S2
Mol. Mass.:
1477.679
SMILES:
CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@@H](NC(=O)[C@@H]2CCCN2C1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |r|
Structure:
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