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Target
Substance-P receptor
Ligand
BDBM50030099
Substrate
n/a
Meas. Tech.
ChEMBL_143033 (CHEMBL751905)
Ki
2500±n/a nM
Citation
 Barrow, CJ; Doleman, MS; Bobko, MA; Cooper, R Structure determination, pharmacological evaluation, and structure-activity studies of a new cyclic peptide substance P antagonist containing the new amino acid 3-prenyl-beta-hydroxytyrosine, isolated from Aspergillus flavipes. J Med Chem 37:356-63 (1994) [PubMed]  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:
BDBM50030099
Synonyms:
(R)-5-(1H-Indol-3-ylmethyl)-17-isopropyl-11-[4-methoxy-3-(2-methyl-butyl)-benzyl]-hexadecahydro-3a,6,9,12,15,18,21-heptaaza-cyclopentacyclohenicosene-4,7,10,13,16,19,22-heptaone | CHEMBL2370514
Type:
Small organic molecule
Emp. Form.:
C42H56N8O8
Mol. Mass.:
800.9428
SMILES:
[H][C@@]12CCCN1C(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)CNC(=O)C(Cc1ccc(OC)c(CC(C)CC)c1)NC(=O)CNC(=O)[C@@H](NC(=O)CNC2=O)C(C)C
Structure:
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