Reaction Details  Report a problem with these data
Target
Substance-P receptor
Ligand
BDBM50286413
Substrate
n/a
Meas. Tech.
ChEBML_208671
IC50
98000±n/a nM
Citation
 Barrow, CJ; Musza, LL; Cooper, R Structure-activity studies of the natural product substance P antagonist win 64821 Bioorg Med Chem Lett 5:377-380 (1995)    Article
Target
Name:
Substance-P receptor
Synonyms:
NK-1 receptor | NK-1R | NK1 Receptor | NK1R | NK1R_HUMAN | Neurokinin 1 receptor | Neurokinin-1 (NK-1) | Neuromedin-1 receptor (NK-1R) | SPR | TAC1R | TACR1 | Tachykinin receptor 1 | Tachykinin receptor 1 (NK1) | tachykinin
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
46254.43
Organism:
Homo sapiens (Human)
Description:
P25103
Residue:
407
Sequence:
MDNVLPVDSDLSPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPSRVVCMIEWPEHPNKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQGSVYKVSRLETTISTVVGAHEEEPEDGPKATPSSLDLTSNCSSRSDSKTMTESFSFSSNVLS
  
Inhibitor
Name:
BDBM50286413
Synonyms:
(3S,5aS,10bS,11aS)-3-Benzyl-10b-(2-hydroxy-5-nitro-benzyl)-2,3,6,10b,11,11a-hexahydro-5aH-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4-dione | CHEMBL125093
Type:
Small organic molecule
Emp. Form.:
C27H24N4O5
Mol. Mass.:
484.5033
SMILES:
Oc1ccc(cc1C[C@@]12C[C@@H]3N([C@@H]1Nc1ccccc21)C(=O)[C@H](Cc1ccccc1)NC3=O)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: