Reaction Details Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50175494
Substrate
n/a
Ki
183±n/a nM
Comments
PDSP_1174
Citation
 Kudlacz, EM; Shatzer, SA; Knippenberg, RW; Logan, DE; Poirot, M; van Giersbergen, PL; Burkholder, TP In vitro and in vivo characterization of MDL 105,212A, a nonpeptide NK-1/NK-2 tachykinin receptor antagonist. J Pharmacol Exp Ther 277:840-51 (1996) [PubMed] 
Target
Name:
Substance-P receptor
Synonyms:
NK1R_CAVPO | Neurokinin 1 receptor | Neurokinin NK1 | TAC1R | TACR1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
46261.42
Organism:
GUINEA PIG
Description:
Neurokinin NK1 TACR1 GUINEA PIG::P30547
Residue:
407
Sequence:
MDNVLPVDSDLFPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPGRVVCMIEWPSHPDKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAADYEGLEMKSTRYFQTQGSVYKVSRLETTISTVVGAHEEDPEEGPKATPSSLDLTSNGSSRSNSKTVTESSSFYSNMLS
  
Inhibitor
Name:
BDBM50175494
Synonyms:
1-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-4-phenyl-piperidine-4-carboxylic acid amide | 3-((E)-3-Carboxy-3-phenyl-allyl)-4,6-dichloro-1H-indole-2-carboxylic acid | CHEMBL330366 | MDL 104,335 (S)-enantiomer | MDL-105212
Type:
Small organic molecule
Emp. Form.:
C34H39Cl2N3O5
Mol. Mass.:
640.597
SMILES:
COc1cc(cc(OC)c1OC)C(=O)N1CC[C@@](CCN2CCC(CC2)(C(N)=O)c2ccccc2)(C1)c1ccc(Cl)c(Cl)c1
Structure:
Search PDB for entries with ligand similarity: