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GLASS

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

Name	Adenosine receptor A1
Species	Oryctolagus cuniculus (Rabbit)
Gene	ADORA1
Synonym	N/A
Disease	N/A for non-human GPCRs
Length	328
Amino acid sequence	MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPETYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKAVVTPRRAAVAIAGCWILSLVVGLTPMFGWNNLREVQRAWAANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRRQLSKKASASSGDPHKYYGKELKIAKSLALILFLFALSWLPLHILNCVTLFCPSCQKPSILVYTAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCRPAPAGDGDEDLPEEKPND
UniProt	P34970
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	CHEMBL3947
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	IABA
Molecular formula	C17H19IN6O4
IUPAC name	(2R,3R,4S,5R)-2-[6-[(4-amino-3-iodophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight	498.281
Hydrogen bond acceptor	9
Hydrogen bond donor	5
XlogP	1.1
Synonyms	Adenosine, N-((4-amino-3-(iodo-125I)phenyl)methyl)-, (1alpha,5Z,7E)- BDBM82557 n6-(3-iodo-4-aminobenzyl)adenosine 98866-49-0 GTPL458 PDSP2_000439 (2R,3R,4S,5R)-2-[6-[(4-amino-3-iodophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Adenosine, N-[(4-amino-3-iodophenyl)methyl]- N(6)-(4-Amino-3-(I(125))iodobenzyl)adenosine CTK3G7705 N6-(4-amino-3-iodobenzyl)adenosine AC1L2OG2 I-ABA SCHEMBL5497088 3-Iodo-N(6)-4-aminobenzyladenosine AKOS030575515 N(6)-(4-Amino-3-iodobenzyl)adenosine 95523-14-1 D02OMP PDSP1_000441 [ Show all ]
Inchi Key	REGZQZHKIFOMRK-LSCFUAHRSA-N
Inchi ID	InChI=1S/C17H19IN6O4/c18-9-3-8(1-2-10(9)19)4-20-15-12-16(22-6-21-15)24(7-23-12)17-14(27)13(26)11(5-25)28-17/h1-3,6-7,11,13-14,17,25-27H,4-5,19H2,(H,20,21,22)/t11-,13-,14-,17-/m1/s1
PubChem CID	125348
ChEMBL	N/A
IUPHAR	458
BindingDB	82557
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	4.0 nM	PMID8996189	BindingDB

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