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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	Rattus norvegicus (Rat)
Gene	Tacr2
Synonym	TAC2R Substance K receptor SP-E receptor SKR NKNAR NK2 receptor NK-2R NK-2 receptor Neurokinin B receptor Neurokinin A receptor Tachykinin receptor 2 [ Show all ]
Disease	N/A for non-human GPCRs
Length	390
Amino acid sequence	MGTRAIVSDANILSGLESNATGVTAFSMPGWQLALWATAYLALVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFIYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPSTKAIIAGIWLVALALASPQCFYSTITVDEGATKCVVAWPNDNGGKMLLLYHLVVFVLIYFLPLLVMFGAYSVIGLTLWKRAVPRHQAHGANLRHLQAKKKFVKAMVLVVLTFAICWLPYHLYFILGTFQEDIYYHKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTHTPSLSRRVNRCHTKETLFMTGDMTHSEATNGQVGSPQDGEPAGPICKAQA
UniProt	P16610
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	CHEMBL4554
IUPHAR	361
DrugBank	N/A

Ligand

Name	GR-159897
Molecular formula	C23H27FN2O2S
IUPAC name	5-fluoro-3-[2-[4-methoxy-4-[[(R)-phenylsulfinyl]methyl]piperidin-1-yl]ethyl]-1H-indole
Molecular weight	414.539
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.4
Synonyms	5-FLUORO-3-[2-[4-METHOXY-4-[[(R)-PHENYLSULPHINYL]METHYL]-1-PIPERIDINYL]ETHYL]-1H-INDOLE MolPort-023-276-059 (R)-5-Fluoro-3-(2-(4-methoxy-4-((phenylsulfinyl)methyl)piperidin-1-yl)ethyl)-1H-indole GR 159897 SR-01000597395-1 BDBM50212987 GTPL2115 5-Fluoro-3-[2-[4-methoxy-4-[[(R)phenylsulfinyl]methyl]-1-piperidinyl]ethyl]-1H-indole CHEMBL2110370 NCGC00381706-02 (R)-5-fluoro-3-(2-(4-methoxy-4-(phenylsulfinylmethyl)piperidin-1-yl)ethyl)-1H-indole AKOS024456505 GR-159,897 ZINC7999073 5-fluoro-3-[2-[4-methoxy-4-[[(R)-phenylsulfinyl]methyl]piperidin-1-yl]ethyl]-1H-indole CHEBI:92912 KB-309739 (r)-1-[2-(5-fluoro-1h-indol-3-yl) ethyl]-4-methoxy -4-[(phenyl-sulfinyl)methyl]-piperidine 5-Fluoro-3-[2-[4-methoxy-4-[[?-phenylsulphinyl]methyl]-1-piperidinyl]ethyl]-1H-indole D02YWV SR-01000597395 158848-32-9 AKOS025147300 [ Show all ]
Inchi Key	BANYJBHWTOJQDU-GDLZYMKVSA-N
Inchi ID	InChI=1S/C23H27FN2O2S/c1-28-23(17-29(27)20-5-3-2-4-6-20)10-13-26(14-11-23)12-9-18-16-25-22-8-7-19(24)15-21(18)22/h2-8,15-16,25H,9-14,17H2,1H3/t29-/m1/s1
PubChem CID	9953599
ChEMBL	CHEMBL2110370
IUPHAR	2115
BindingDB	50212987
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	0.1 nM	Bioorg. Med. Chem. Lett., (1994) 4:16:1951	ChEMBL
Ki	0.1 nM	N/A	BindingDB

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