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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Substance-K receptor
Species	Mesocricetus auratus (Golden hamster)
Gene	TACR2
Synonym	Neurokinin A receptor NK-2 receptor NK-2R SKR Tachykinin receptor 2
Disease	N/A for non-human GPCRs
Length	384
Amino acid sequence	MGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP
UniProt	P51144
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2304405
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL345711
Molecular formula	C28H29F3N2
IUPAC name	(2R,3R)-2-benzhydryl-N-[[2-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
Molecular weight	450.549
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	6.3
Synonyms	3-Tbbq BDBM50280464 (2R,3R)-2-benzhydryl-N-[[2-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine ZINC36324059 1-Azabicyclo(2.2.2)octan-3-amine, 2-(diphenylmethyl)-N-((2-(trifluoromethyl)phenyl)methyl)-, cis-(+-)- [(2R,3R)-2-(2,2-Diphenyl-ethyl)-1-aza-bicyclo[2.2.2]oct-3-yl]-(2-trifluoromethyl-benzyl)-amine AC1L2ZYE [ Show all ]
Inchi Key	SJOKZBTYGQAZNH-KAYWLYCHSA-N
Inchi ID	InChI=1S/C28H29F3N2/c29-28(30,31)24-14-8-7-13-23(24)19-32-26-22-15-17-33(18-16-22)27(26)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,22,25-27,32H,15-19H2/t26-,27-/m1/s1
PubChem CID	131871
ChEMBL	CHEMBL345711
IUPHAR	N/A
BindingDB	50280464
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	100000.0 nM	Bioorg. Med. Chem. Lett., (1992) 2:6:559	ChEMBL

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