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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	CHEMBL333515
Molecular formula	C44H62N8O6
IUPAC name	3-[(2R,5S,8R,11S,14R)-14-benzyl-5-(cyclohexylmethyl)-11-(1H-indol-3-ylmethyl)-4-methyl-2-(2-methylpropyl)-6,9,12,15,19-pentaoxo-1,4,7,10,13,16-hexazacyclononadec-8-yl]propanamide
Molecular weight	799.03
Hydrogen bond acceptor	7
Hydrogen bond donor	7
XlogP	4.9
Synonyms	BDBM50407238
Inchi Key	KVOAGVAUQSOQCX-OKIYNYSVSA-N
Inchi ID	InChI=1S/C44H62N8O6/c1-28(2)22-32-27-52(3)38(24-30-14-8-5-9-15-30)44(58)49-35(18-19-39(45)53)42(56)51-37(25-31-26-47-34-17-11-10-16-33(31)34)43(57)50-36(23-29-12-6-4-7-13-29)41(55)46-21-20-40(54)48-32/h4,6-7,10-13,16-17,26,28,30,32,35-38,47H,5,8-9,14-15,18-25,27H2,1-3H3,(H2,45,53)(H,46,55)(H,48,54)(H,49,58)(H,50,57)(H,51,56)/t32-,35-,36-,37+,38+/m1/s1
PubChem CID	44346707
ChEMBL	CHEMBL333515
IUPHAR	N/A
BindingDB	50407238
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
k'	13.1 -	PMID7932590	ChEMBL
Kd	117.0 nM	PMID7932590	BindingDB
Kd	117.49 nM	PMID7932590	ChEMBL

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