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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	CHEMBL412621
Molecular formula	C60H64N10O12
IUPAC name	(3S)-3-amino-4-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]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]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Molecular weight	1117.23
Hydrogen bond acceptor	13
Hydrogen bond donor	14
XlogP	3.2
Synonyms	BDBM50407419
Inchi Key	BQXKNSNMZOPNLD-RANNHXKVSA-N
Inchi ID	InChI=1S/C60H64N10O12/c1-32(2)53(70-58(79)50(27-37-31-64-46-14-8-5-11-42(37)46)67-55(76)47(23-33-15-19-38(71)20-16-33)65-54(75)43(61)28-52(73)74)59(80)68-49(26-36-30-63-45-13-7-4-10-41(36)45)56(77)66-48(25-35-29-62-44-12-6-3-9-40(35)44)57(78)69-51(60(81)82)24-34-17-21-39(72)22-18-34/h3-22,29-32,43,47-51,53,62-64,71-72H,23-28,61H2,1-2H3,(H,65,75)(H,66,77)(H,67,76)(H,68,80)(H,69,78)(H,70,79)(H,73,74)(H,81,82)/t43-,47-,48+,49+,50+,51-,53-/m0/s1
PubChem CID	44324613
ChEMBL	CHEMBL412621
IUPHAR	N/A
BindingDB	50407419
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
Kd	100000.0 nM	PMID7629809	BindingDB,ChEMBL

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