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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	CHEMBL315982
Molecular formula	C35H41Cl2N3O6
IUPAC name	1-[2-[3-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-(3-methoxyphenyl)piperidine-4-carboxamide
Molecular weight	670.628
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	5.7
Synonyms	XCIPVUSGRRXKLG-UHFFFAOYSA-N 1-[2-[3-(3,4-dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl]-4-(3-methoxy-phenyl)-piperidine-4-carboxylic acid amide BDBM50290314 SCHEMBL8355448 1-{2-[3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-4-(3-methoxy-phenyl)-piperidine-4-carboxylic acid amide
Inchi Key	XCIPVUSGRRXKLG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C35H41Cl2N3O6/c1-43-26-7-5-6-25(20-26)35(33(38)42)12-15-39(16-13-35)14-10-34(24-8-9-27(36)28(37)21-24)11-17-40(22-34)32(41)23-18-29(44-2)31(46-4)30(19-23)45-3/h5-9,18-21H,10-17,22H2,1-4H3,(H2,38,42)
PubChem CID	44319223
ChEMBL	CHEMBL315982
IUPHAR	N/A
BindingDB	50290314
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	17.0 nM	N/A	BindingDB
IC50	17.1 nM	Bioorg. Med. Chem. Lett., (1997) 7:19:2531	ChEMBL

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