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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	CHEMBL2112924
Molecular formula	C41H48N6O10
IUPAC name	2-[(2S,5S,8S,12S)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-3,6,11,14-tetraoxo-1,4,7,10-tetrazacyclotetradec-12-yl]-N-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
Molecular weight	784.867
Hydrogen bond acceptor	10
Hydrogen bond donor	10
XlogP	0.5
Synonyms	BDBM50404018
Inchi Key	MAJNAZICSRKGLG-DPSFUIKSSA-N
Inchi ID	InChI=1S/C41H48N6O10/c48-22-32-35(51)36(52)37(53)41(57-32)47-34(50)19-25-18-33(49)45-31(17-26-20-42-29-14-8-7-13-28(26)29)40(56)46-30(16-24-11-5-2-6-12-24)39(55)44-27(21-43-38(25)54)15-23-9-3-1-4-10-23/h1-14,20,25,27,30-32,35-37,41-42,48,51-53H,15-19,21-22H2,(H,43,54)(H,44,55)(H,45,49)(H,46,56)(H,47,50)/t25-,27-,30-,31-,32?,35?,36?,37?,41?/m0/s1
PubChem CID	71461644
ChEMBL	CHEMBL2112924
IUPHAR	N/A
BindingDB	50404018
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
Kd	6.31 nM	PMID11844703	ChEMBL

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