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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.
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Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Substance-K receptor
Species	Oryctolagus cuniculus (Rabbit)
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	MGACDIVTEANISSDIDSNATGVTAFSMPGWQLALWATAYLALVLVAVVGNATVIWIILAHRRMRTVTNYFIVNLALADLCMATFNAAFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSGPGTKAVIAGIWLVALALAFPQCFYSTITMDQGATKCVVAWPEDSGGKMLLLYHLTVIALIYFLPLVVMFVAYSVIGFKLWRRTVPGHQTHGANLRHLRAKKKFVKTMVLVVVTFAVCWLPYHLYFLLGHFQDDIYCRKFIQQVYLVLFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDKLELTHTPSLSVRVNRCHTKETLFLVGDVAPSEAANGQAGGPQDGGAYDF
UniProt	P79218
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	CHEMBL3433
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	MEN-10414
Molecular formula	C40H46N8O8
IUPAC name	(3S)-3-amino-4-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Molecular weight	766.856
Hydrogen bond acceptor	9
Hydrogen bond donor	10
XlogP	-0.4
Synonyms	CHEMBL332311
Inchi Key	NAROQMGJBTWUPR-AZEIZMHQSA-N
Inchi ID	InChI=1S/C40H46N8O8/c1-21(2)35(40(56)45-31(36(42)52)16-23-19-43-29-9-5-3-7-26(23)29)48-39(55)33(17-24-20-44-30-10-6-4-8-27(24)30)47-38(54)32(15-22-11-13-25(49)14-12-22)46-37(53)28(41)18-34(50)51/h3-14,19-21,28,31-33,35,43-44,49H,15-18,41H2,1-2H3,(H2,42,52)(H,45,56)(H,46,53)(H,47,54)(H,48,55)(H,50,51)/t28-,31+,32-,33+,35-/m0/s1
PubChem CID	10010374
ChEMBL	CHEMBL332311
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
pKB	6.3 -	Bioorg. Med. Chem. Lett., (1996) 6:4:367	ChEMBL

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