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GLASS

You can:

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	CGP-49823
Molecular formula	C31H33N3O
IUPAC name	[(2R,4S)-2-benzyl-4-(quinolin-4-ylmethylamino)piperidin-1-yl]-(3,5-dimethylphenyl)methanone
Molecular weight	463.625
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	6.0
Synonyms	BDBM50287397 {(R)-2-Benzyl-4-[(quinolin-4-ylmethyl)-amino]-piperidin-1-yl}-(3,5-dimethyl-phenyl)-methanone 150705-88-7 SCHEMBL6904655 CHEMBL290364 {(2R,4S)-2-Benzyl-4-[(quinolin-4-ylmethyl)-amino]-piperidin-1-yl}-(3,5-dimethyl-phenyl)-methanone cgp49823 D0N1PA [ Show all ]
Inchi Key	WQZUOBIIPDZRJP-WUFINQPMSA-N
Inchi ID	InChI=1S/C31H33N3O/c1-22-16-23(2)18-26(17-22)31(35)34-15-13-27(20-28(34)19-24-8-4-3-5-9-24)33-21-25-12-14-32-30-11-7-6-10-29(25)30/h3-12,14,16-18,27-28,33H,13,15,19-21H2,1-2H3/t27-,28+/m0/s1
PubChem CID	9869033
ChEMBL	CHEMBL290364
IUPHAR	N/A
BindingDB	50287397
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	2790.0 nM	, Bioorg. Med. Chem. Lett., (1996) 6:14:1623	BindingDB,ChEMBL

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