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GPCR

Name	Adenosine receptor A3
Species	Homo sapiens (Human)
Gene	ADORA3
Synonym	ARA3 Adenosine receptor A3 A3AR A3 receptor TGPCR1
Disease	Cerebrovascular ischaemia Malaria Ischemia Inflammation Hepatocellular carcinoma; Hepatitis C virus infection Glaucoma Cancer [ Show all ]
Length	318
Amino acid sequence	MPNNSTALSLANVTYITMEIFIGLCAIVGNVLVICVVKLNPSLQTTTFYFIVSLALADIAVGVLVMPLAIVVSLGITIHFYSCLFMTCLLLIFTHASIMSLLAIAVDRYLRVKLTVRYKRVTTHRRIWLALGLCWLVSFLVGLTPMFGWNMKLTSEYHRNVTFLSCQFVSVMRMDYMVYFSFLTWIFIPLVVMCAIYLDIFYIIRNKLSLNLSNSKETGAFYGREFKTAKSLFLVLFLFALSWLPLSIINCIIYFNGEVPQLVLYMGILLSHANSMMNPIVYAYKIKKFKETYLLILKACVVCHPSDSLDTSIEKNSE
UniProt	P0DMS8
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T36059
ChEMBL	CHEMBL256
IUPHAR	21
DrugBank	BE0000354

Ligand

Name	adenosine
Molecular formula	C10H13N5O4
IUPAC name	(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight	267.245
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	-1.1
Synonyms	CJ-07924 NSC-755857 Adenine nucleoside (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol Polyadenosine Adenocard 1-(6-amino-9H-purin-9-yl)-1-deoxy-beta-delta-Ribofuranose s1647 Adenosina 2fqy Spectrum2_001257 Adenosine, BioReagent, suitable for cell culture 41547-82-4 ST2407911 adenosine-8-13C DB00640 6-Amino-9-.beta.-ribofuranosyl-9H-purine Z1741978458 AKOS015888594 Formycin A, from Streptomyces kaniharaensis, >=98% (HPLC) 9-.beta.-D-Ribofuranosyl-9H-purin-6-amine BDBM14487 K72T3FS567 9-beta-delta-Ribofuranosyl-9H-purin-6-amine Bio1_001415 MFCD00005752 9H-Purin-6-amine, 9beta-D-ribofuranosyl- Caswell No. 010B NCGC00023673-03 AC1L1U8O ACT02616 NSC7652 Adenine-9-beta-D-ribofuranoside (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol REGID_for_CID_60961 Adenocor 177030-94-3 SCHEMBL731 Adenosine (JAN/USP) 30143-02-3 SR-05000001981 Adenosine, Pharmaceutical Secondary Standard; Certified Reference Material 4cki Tox21_110891 Adenosinum DSSTox_RID_76628 6-Amino-9beta-D-ribofuranosyl-9H-purine ANW-32994 GTPL2844 9-beta-D-Ribofuranosidoadenine beta-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy- KS-0000010G 9beta-D-ribofuranosyl-9H-Purin-6-amine Boniton MLS002153227 AB00384349-11 CHEBI:16335 NCGC00023673-06 NSC 627048 Adenine 9-beta-D-arabinofuranoside Pallacor adenine-9beta-delta-Ribofuranoside .beta.-D-Ribofuranoside, adenine-9 RTR-020367 Adenosin 244769-76-4 SPBio_001194 Adenosine, 99+% 3H-adenosine SR-96225 Adenosine,(S) DB-022408 5682-25-7 UNII-K72T3FS567 AJ-34020 EINECS 200-389-9 9-.alpha.-D-Arabinofuranosyladenine AT-11502 HMS2235E24 9-beta-delta-Arabinofuranosyladenine Bio1_000437 MCULE-7071766082 9beta-delta-Ribofuranosyladenine C00212 Myocol AC-27494 cid_191 CTK1G9587 NSC627048 Adenine riboside (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol Polyriboadenosine Adenocard (TN) Sandesin 2gl0 Spectrum3_000288 Adenosine, European Pharmacopoeia (EP) Reference Standard 46946-45-6 SUN-Y4001 adenosine-9-15N DSSTox_CID_2558 6-Amino-9-beta-D-ribofuranosyl-9H-purine ZINC2169830 alpha-Adenosine FT-0082881 9-.beta.-d-Ribofuranosyladenine beta-Adenosine KB-47159 9-beta-delta-Ribofuranosyladenine bmse000061 MFCD00065471 A0152 CCG-38824 NCGC00023673-04 AC1Q1ID3 Ade-Rib Nucleocardyl Adenine-9-ss-D-ribofuranoside .beta.-D-Adenosine RP29522 Adenoscan 1dgm SDCCGMLS-0003108.P003 Adenosine [USAN:BAN] 3axz SR-05000001981-1 Adenosine, United States Pharmacopeia (USP) Reference Standard D00045 4ckj Tox21_110891_1 Adensoine DTXSID1022558 6-Amino-9beta-delta-ribofuranosyl-9H-purine Arabinosyl-adenine HMS1920A13 9-beta-D-Ribofuranosyl-9H-purin-6-amine beta-D-Ribofuranoside, adenine-9 KSC269K8P 9beta-D-Ribofuranosyladenine BR-77288 MLS006010946 AB00384349_13 NCGC00023673-07 cid_60961 NSC 7652 Adenine 9-beta-D-arabinofuranoside (Vidarabine) Pharmakon1600-01500107 adenine-D-ribose 1-(6-amino-9H-purin-9-yl)-1-deoxy-beta-D-Ribofuranose S-3476 Adenosin [German] SPECTRUM1500107 Adenosine, >=99% 4-Aminopyrazolo[3,4-d]pyrimidine ribonucleoside ST009496 adenosine-2-13C-N,1,3-15N3 58-61-7 USAF CB-10 AK-77288 Epitope ID:140947 9-.beta.-D-Ribofuranosidoadenine b-D-Adenosine HSDB 7774 9-beta-delta-Ribofuranosidoadenine Bio1_000926 MEDR-640 9H-Purin-6-amine, 9-.beta.-d-ribofuranosyl- CAS-58-61-7 N6-Methylado AC-8229 D-Adenosine NSC755857 Adenine riboside, Adenine-9-beta-D-ribofuranoside (2R,3R,4S,5R)-2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol PubChem9306 Adenocard, Adenosine 158749-77-0 SBI-0206673.P002 Adenosine (Adenocard) 2ydo SR 96225 Adenosine, homopolymer 46969-16-8 TL8003749 adenosine-N-15N DSSTox_GSID_22558 6-Amino-9.beta.-D-ribofuranosyl-9H-purine [U-14C]adenosine AM83931 FT-0620931 9-?-D-Ribofuranosyl-9H-purin-6-amine beta-D-Adenosine KBio3_001296 9-ss-D-Ribofuranosyladenine bmse000996 MLS000069638 AB0012292 CCRIS 2557 NCGC00023673-05 AC1Q52XU Adenin riboside OIRDTQYFTABQOQ-KQYNXXCUSA-N adenine-9beta-D-Ribofuranoside .beta.-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy- RP29523 Adenoscan (TN) 1odi SMR000058216 Adenosine [USAN:USP:BAN] 3ay0 SR-05000001981-2 Adenosine, Vetec(TM) reagent grade, 98% D06IAR 4pd9 TR-020367 AI3-52413 EA6C60C2-6AFB-4264-A2F0-541373DB950E 9-(beta-D-Arabinofuranosyl)adenine AS-12664 HMS2091G13 9-beta-D-Ribofuranosyladenine beta-delta-Adenosine LS-15085 9beta-delta-ribofuranosyl-9H-Purin-6-amine BSPBio_001796 MolPort-001-838-229 AB00384349_14 CHEMBL477 NCGC00178869-03 [ Show all ]
Inchi Key	OIRDTQYFTABQOQ-KQYNXXCUSA-N
Inchi ID	InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
PubChem CID	60961
ChEMBL	CHEMBL477
IUPHAR	2844
BindingDB	14487
DrugBank	DB00640
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
Activity	-38.7 %	PMID26756468	ChEMBL
Activity	10.0 %	PMID16640329	ChEMBL
EC50	290.0 nM	PMID24164628, PMID21388809, PMID26356532, PMID20541935	BindingDB,ChEMBL
EC50	1040.0 nM	PMID16640329	BindingDB,ChEMBL
IC50	1.1 nM	PMID26756468	BindingDB
IC50	1.148 nM	PMID26756468	ChEMBL
Ki	290.0 nM	PMID15822182, PMID7746802, PMID14662005	IUPHAR

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