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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	LANEPITANT
Molecular formula	C33H45N5O3
IUPAC name	N-[(2R)-1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
Molecular weight	559.755
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.2
Synonyms	N-((R)-2-Indol-3-yl-1-((N-(o-methoxybenzyl)acetamido)methyl)ethyl)(1,4'-bipiperidine)-1'-acetamide AC1MJ6LZ N-[1(R)-(1H-Indol-3-ylmethyl)-2-[N-(2-methoxybenzyl)acetamido]ethyl]-2-[4-(1-piperidinyl)piperidin-1-yl]acetamide CHEMBL42407 LS-44577 LY-303870 EX-A2688 N-[(2R)-1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide BDBM50049319 Lanepitant < Prop INN > SCHEMBL121512 170566-84-4 D06HCC LY 303870 LY303870 GTPL3510 N-[(R)-1-{[Acetyl-(2-methoxy-benzyl)-amino]-methyl}-2-(1H-indol-3-yl)-ethyl]-2-[1,4'']bipiperidinyl-1''-yl-acetamide Lanepitant [INN] LY-302654 (racemate) UNII-17G8FN2E1F 17G8FN2E1F DTXSID80168879 [ Show all ]
Inchi Key	CVXJAPZTZWLRBP-MUUNZHRXSA-N
Inchi ID	InChI=1S/C33H45N5O3/c1-25(39)38(22-26-10-4-7-13-32(26)41-2)23-28(20-27-21-34-31-12-6-5-11-30(27)31)35-33(40)24-36-18-14-29(15-19-36)37-16-8-3-9-17-37/h4-7,10-13,21,28-29,34H,3,8-9,14-20,22-24H2,1-2H3,(H,35,40)/t28-/m1/s1
PubChem CID	3086681
ChEMBL	CHEMBL42407
IUPHAR	3510
BindingDB	50049319
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Kd	19952.6 nM	PMID8576917	ChEMBL
Kd	19953.0 nM	PMID8576917	BindingDB

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