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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	Bos taurus (Bovine)
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	MGACVVMTDINISSGLDSNATGITAFSMPGWQLALWTAAYLALVLVAVMGNATVIWIILAHQRMRTVTNYFIVNLALADLCMAAFNAAFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPGTRAVIAGIWLVALALAFPQCFYSTITTDEGATKCVVAWPEDSGGKMLLLYHLIVIALIYFLPLVVMFVAYSVIGLTLWRRSVPGHQAHGANLRHLQAKKKFVKTMVLVVVTFAICWLPYHLYFILGTFQEDIYCHKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDKMELTYTPSLSTRVNRCHTKEIFFMSGDVAPSEAVNGQAESPQAGVSTEP
UniProt	P05363
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	CHEMBL4815
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL43912
Molecular formula	C29H25Cl2N3O2
IUPAC name	N-[(2R,4S)-2-benzyl-1-(3,5-dichlorobenzoyl)piperidin-4-yl]quinoline-4-carboxamide
Molecular weight	518.438
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	6.5
Synonyms	(2R,4S)-2-benzyl-1-(3 ,5-dichlorobenzoyl)-N-(4-quinolylcarbonyl)-4-piperidinamine SCHEMBL8821413 BDBM50287399 IDKSGROGHXKFIS-BJKOFHAPSA-N (2R,4S)-2-benzyl-1-(3,5-dichlorobenzoyl)-N-(4-quinolylcarbonyl)-4-piperidinamine Quinoline-4-carboxylic acid [(2R,4S)-2-benzyl-1-(3,5-dichloro-benzoyl)-piperidin-4-yl]-amide [ Show all ]
Inchi Key	IDKSGROGHXKFIS-BJKOFHAPSA-N
Inchi ID	InChI=1S/C29H25Cl2N3O2/c30-21-15-20(16-22(31)17-21)29(36)34-13-11-23(18-24(34)14-19-6-2-1-3-7-19)33-28(35)26-10-12-32-27-9-5-4-8-25(26)27/h1-10,12,15-17,23-24H,11,13-14,18H2,(H,33,35)/t23-,24+/m0/s1
PubChem CID	44288896
ChEMBL	CHEMBL43912
IUPHAR	N/A
BindingDB	50287399
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	4500.0 nM	, Bioorg. Med. Chem. Lett., (1996) 6:14:1623	BindingDB,ChEMBL

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