Ki Summary

Reaction Details

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Target

Substance-P receptor

Ligand

BDBM50186521

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_377172 (CHEMBL869696)

1±n/a nM

Citation

Wrobleski, ML; Reichard, GA; Paliwal, S; Shah, S; Tsui, HC; Duffy, RA; Lachowicz, JE; Morgan, CA; Varty, GB; Shih, NY Cyclobutane derivatives as potent NK1 selective antagonists. Bioorg Med Chem Lett16:3859-63 (2006) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Substance-P receptor

Name:

Substance-P receptor

Synonyms:

Type:

G Protein-Coupled Receptor (GPCR)

Mol. Mass.:

46254.43

Organism:

Homo sapiens (Human)

Description:

P25103

Residue:

407

Sequence:

MDNVLPVDSDLSPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAH
KRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASI
YSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPSRVVC
MIEWPEHPNKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQV
SAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMY
NPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQGSVYKVSRLETTIST
VVGAHEEEPEDGPKATPSSLDLTSNCSSRSDSKTMTESFSFSSNVLS

BDBM50186521

n/a

Name

BDBM50186521

Synonyms:

CHEMBL210591 | trans-3-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-1-amino-3-phenylcyclobutanecarboxamide

Type

Small organic molecule

Emp. Form.

C22H22F6N2O2

Mol. Mass.

460.4127

SMILES

C[C@@H](OC[C@]1(C[C@](N)(C1)C(N)=O)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:1.0,6.6,wD:4.3,6.9,(-.21,1.61,;-.21,.07,;1.13,-.69,;2.46,.08,;3.8,-.68,;2.73,-1.79,;3.83,-2.86,;5.16,-3.62,;4.9,-1.75,;2.47,-3.59,;1.16,-2.77,;2.41,-5.12,;5.13,.09,;6.46,-.67,;7.79,.1,;7.78,1.64,;6.44,2.41,;5.11,1.63,;-1.54,-.7,;-1.53,-2.25,;-2.87,-3.02,;-4.2,-2.25,;-4.2,-.71,;-2.87,.06,;-5.54,.06,;-4.78,1.4,;-6.32,-1.27,;-6.88,.83,;-2.87,-4.56,;-1.34,-4.56,;-4.42,-4.56,;-2.86,-6.1,)|

Structure