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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	Adenosine receptor A2b
Species	Rattus norvegicus (Rat)
Gene	Adora2b
Synonym	A2b A2B receptor A2BR adenosine receptor A2b
Disease	N/A for non-human GPCRs
Length	332
Amino acid sequence	MQLETQDALYVALELVIAALAVAGNVLVCAAVGASSALQTPTNYFLVSLATADVAVGLFAIPFAITISLGFCTDFHSCLFLACFVLVLTQSSIFSLLAVAVDRYLAIRVPLRYKGLVTGTRARGIIAVLWVLAFGIGLTPFLGWNSKDRATSNCTEPGDGITNKSCCPVKCLFENVVPMSYMVYFNFFGCVLPPLLIMMVIYIKIFMVACKQLQHMELMEHSRTTLQREIHAAKSLAMIVGIFALCWLPVHAINCITLFHPALAKDKPKWVMNVAILLSHANSVVNPIVYAYRNRDFRYSFHRIISRYVLCQTDTKGGSGQAGGQSTFSLSL
UniProt	P29276
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	CHEMBL2592
IUPHAR	20
DrugBank	N/A

Ligand

Name	CHEMBL310997
Molecular formula	C28H40N2O4
IUPAC name	4-[[(2R)-1-[6-[(2R)-2-[(3,4-dihydroxyphenyl)methyl]pyrrolidin-1-yl]hexyl]pyrrolidin-2-yl]methyl]benzene-1,2-diol
Molecular weight	468.638
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	5.3
Synonyms	(R,R)-1,6-bis[2-(3,4-dihydroxybenzyl)pyrrolidin-1-yl]-hexane BDBM50213356 SCHEMBL7374016 (R,R)-1,6-bis[2-(3,4-dihydroxybenzyl)pyrrolidin-1-yl]hexane VQJOREUOQIWUDM-DNQXCXABSA-N
Inchi Key	VQJOREUOQIWUDM-DNQXCXABSA-N
Inchi ID	InChI=1S/C28H40N2O4/c31-25-11-9-21(19-27(25)33)17-23-7-5-15-29(23)13-3-1-2-4-14-30-16-6-8-24(30)18-22-10-12-26(32)28(34)20-22/h9-12,19-20,23-24,31-34H,1-8,13-18H2/t23-,24-/m1/s1
PubChem CID	9869262
ChEMBL	CHEMBL310997
IUPHAR	N/A
BindingDB	50213356
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
Ki	57.54 nM	Bioorg. Med. Chem. Lett., (1995) 5:20:2371	ChEMBL
Ki	58.0 nM	N/A	BindingDB

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