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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	CHEMBL268563
Molecular formula	C61H67N11O10
IUPAC name	(2S)-2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoic acid
Molecular weight	1114.27
Hydrogen bond acceptor	11
Hydrogen bond donor	13
XlogP	3.3
Synonyms	BDBM50407417
Inchi Key	DPCYSTRBJWCXEG-CDHITXBCSA-N
Inchi ID	InChI=1S/C61H67N11O10/c1-34(2)54(72-59(79)51(30-39-33-66-47-19-11-8-16-43(39)47)69-56(76)48(26-36-20-22-40(73)23-21-36)67-55(75)44(62)24-25-53(63)74)60(80)70-50(29-38-32-65-46-18-10-7-15-42(38)46)57(77)68-49(28-37-31-64-45-17-9-6-14-41(37)45)58(78)71-52(61(81)82)27-35-12-4-3-5-13-35/h3-23,31-34,44,48-52,54,64-66,73H,24-30,62H2,1-2H3,(H2,63,74)(H,67,75)(H,68,77)(H,69,76)(H,70,80)(H,71,78)(H,72,79)(H,81,82)/t44-,48-,49+,50+,51+,52-,54-/m0/s1
PubChem CID	44324665
ChEMBL	CHEMBL268563
IUPHAR	N/A
BindingDB	50407417
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	1659.59 nM	PMID7629809	ChEMBL
Kd	1660.0 nM	PMID7629809	BindingDB

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