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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEBI:92912 KB-309739 5-fluoro-3-[2-[4-methoxy-4-[[(R)-phenylsulfinyl]methyl]piperidin-1-yl]ethyl]-1H-indole 5-Fluoro-3-[2-[4-methoxy-4-[[?-phenylsulphinyl]methyl]-1-piperidinyl]ethyl]-1H-indole D02YWV SR-01000597395 (r)-1-[2-(5-fluoro-1h-indol-3-yl) ethyl]-4-methoxy -4-[(phenyl-sulfinyl)methyl]-piperidine AKOS025147300 158848-32-9 5-FLUORO-3-[2-[4-METHOXY-4-[[(R)-PHENYLSULPHINYL]METHYL]-1-PIPERIDINYL]ETHYL]-1H-INDOLE MolPort-023-276-059 GR 159897 SR-01000597395-1 (R)-5-Fluoro-3-(2-(4-methoxy-4-((phenylsulfinyl)methyl)piperidin-1-yl)ethyl)-1H-indole BDBM50212987 GTPL2115 5-Fluoro-3-[2-[4-methoxy-4-[[(R)phenylsulfinyl]methyl]-1-piperidinyl]ethyl]-1H-indole CHEMBL2110370 NCGC00381706-02 AKOS024456505 GR-159,897 ZINC7999073 (R)-5-fluoro-3-(2-(4-methoxy-4-(phenylsulfinylmethyl)piperidin-1-yl)ethyl)-1H-indole [ 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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