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GLASS

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