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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	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	CHEMBL3215394
Molecular formula	C63H78N12O15
IUPAC name	(3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]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]-1-oxo-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-2-yl]amino]-4-oxobutanoic acid
Molecular weight	1243.39
Hydrogen bond acceptor	17
Hydrogen bond donor	17
XlogP	-0.7
Synonyms	N/A
Inchi Key	MGULHIHODXUTFH-SLKUBUJSSA-N
Inchi ID	InChI=1S/C63H78N12O15/c1-32(2)52(62(88)74-48(25-35-29-68-43-15-7-4-12-39(35)43)60(86)72-47(24-34-28-67-42-14-6-3-11-38(34)42)59(85)70-45(56(66)82)17-9-10-22-64)75-61(87)49(26-36-30-69-44-16-8-5-13-40(36)44)73-58(84)46(71-57(83)41(65)27-51(77)78)23-33-18-20-37(21-19-33)89-63-55(81)54(80)53(79)50(31-76)90-63/h3-8,11-16,18-21,28-30,32,41,45-50,52-55,63,67-69,76,79-81H,9-10,17,22-27,31,64-65H2,1-2H3,(H2,66,82)(H,70,85)(H,71,83)(H,72,86)(H,73,84)(H,74,88)(H,75,87)(H,77,78)/t41-,45-,46-,47+,48-,49-,50+,52-,53+,54-,55+,63+/m0/s1
PubChem CID	90664129
ChEMBL	CHEMBL3215394
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 has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
pKB	6.2 -	Bioorg. Med. Chem. Lett., (1996) 6:4:367	ChEMBL

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