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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Substance-K receptor
Species	Mus musculus (Mouse)
Gene	Tacr2
Synonym	TAC2R Substance K receptor SP-E receptor SKR NKNAR NK2 receptor NK-2R NK-2 receptor Neurokinin B receptor neurokinin A receptor Tachykinin receptor 2 [ Show all ]
Disease	N/A for non-human GPCRs
Length	384
Amino acid sequence	MGAHASVTDTNILSGLESNATGVTAFSMPGWQLALWATAYLALVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFIYASHNIWYFGSTFCYFQNLFPVTAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPSTKAVIAVIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLIYFLPLVVMFAAYSVIGLTLWKRAVPRHQAHGANLRHLQAKKKFVKAMVLVVVTFAICWLPYHLYFILGTFQEDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWGTPTEEDRLELTHTPSISRRVNRCHTKETLFMTGDMTHSEATNGQVGGPQDGEPAGP
UniProt	P30549
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	CHEMBL2813
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL432183
Molecular formula	C40H50Cl2N4O6
IUPAC name	1-[2-[3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-N-(2-morpholin-4-ylethyl)-4-phenylpiperidine-4-carboxamide
Molecular weight	753.762
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	5.8
Synonyms	1-[2-[3-(3,4-dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl]-4-phenyl-piperidine-4-carboxylic acid (2-morpholino-ethyl)-amide BDBM50290299 VDMSRLSDKANFQZ-UHFFFAOYSA-N 1-{2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-4-phenyl-piperidine-4-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
Inchi Key	VDMSRLSDKANFQZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C40H50Cl2N4O6/c1-49-34-25-29(26-35(50-2)36(34)51-3)37(47)46-19-12-39(28-46,31-9-10-32(41)33(42)27-31)11-16-44-17-13-40(14-18-44,30-7-5-4-6-8-30)38(48)43-15-20-45-21-23-52-24-22-45/h4-10,25-27H,11-24,28H2,1-3H3,(H,43,48)
PubChem CID	44319082
ChEMBL	CHEMBL432183
IUPHAR	N/A
BindingDB	50290299
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	11.8 nM	Bioorg. Med. Chem. Lett., (1997) 7:19:2531	ChEMBL
IC50	12.0 nM	N/A	BindingDB

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