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GLASS

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GPCR

Name	Adenosine receptor A2b
Species	Homo sapiens (Human)
Gene	ADORA2B
Synonym	adenosine receptor A2b A2BR A2B receptor A2b
Disease	Paroxysmal supraventricular tachycardia Non-insulin dependent diabetes Hypertension Herpes simplex virus infection Apnea Asthma [ Show all ]
Length	332
Amino acid sequence	MLLETQDALYVALELVIAALSVAGNVLVCAAVGTANTLQTPTNYFLVSLAAADVAVGLFAIPFAITISLGFCTDFYGCLFLACFVLVLTQSSIFSLLAVAVDRYLAICVPLRYKSLVTGTRARGVIAVLWVLAFGIGLTPFLGWNSKDSATNNCTEPWDGTTNESCCLVKCLFENVVPMSYMVYFNFFGCVLPPLLIMLVIYIKIFLVACRQLQRTELMDHSRTTLQREIHAAKSLAMIVGIFALCWLPVHAVNCVTLFQPAQGKNKPKWAMNMAILLSHANSVVNPIVYAYRNRDFRYTFHKIISRYLLCQADVKSGNGQAGVQPALGVGL
UniProt	P29275
Protein Data Bank	N/A
GPCR-HGmod model	P29275
3D structure model	This predicted structure model is from GPCR-EXP P29275.
BioLiP	N/A
Therapeutic Target Database	T86679
ChEMBL	CHEMBL255
IUPHAR	20
DrugBank	BE0000241

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	Polyadenosine s1647 Spectrum2_001257 ST2407911 DB00640 Z1741978458 Formycin A, from Streptomyces kaniharaensis, >=98% (HPLC) K72T3FS567 MFCD00005752 NCGC00023673-03 NSC-755857 9-ss-D-Ribofuranosyladenine bmse000996 AB0012292 CCRIS 2557 AC1Q52XU D-Adenosine Adenine riboside, Adenine-9-beta-D-ribofuranoside (2R,3R,4S,5R)-2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol Adenocard, Adenosine 158749-77-0 Adenosine (Adenocard) 2ydo Adenosine, homopolymer 46969-16-8 adenosine-N-15N 6-Amino-9.beta.-D-ribofuranosyl-9H-purine AM83931 9-?-D-Ribofuranosyl-9H-purin-6-amine beta-D-Adenosine REGID_for_CID_60961 SCHEMBL731 SR-05000001981 Tox21_110891 DSSTox_RID_76628 GTPL2844 KS-0000010G MLS002153227 NCGC00023673-06 NSC7652 beta-delta-Adenosine 9beta-delta-ribofuranosyl-9H-Purin-6-amine BSPBio_001796 AB00384349_14 CHEMBL477 Adenin riboside adenine-9beta-D-Ribofuranoside .beta.-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy- Adenoscan (TN) 1odi Adenosine [USAN:USP:BAN] 3ay0 Adenosine, Vetec(TM) reagent grade, 98% 4pd9 AI3-52413 9-(beta-D-Arabinofuranosyl)adenine AS-12664 9-beta-D-Ribofuranosyladenine Pallacor RTR-020367 SPBio_001194 SR-96225 DB-022408 UNII-K72T3FS567 EINECS 200-389-9 HMS2235E24 MCULE-7071766082 Myocol NSC 627048 9-beta-delta-Ribofuranosyl-9H-purin-6-amine Bio1_001415 9H-Purin-6-amine, 9beta-D-ribofuranosyl- Caswell No. 010B AC1L1U8O CJ-07924 Adenine nucleoside (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol Adenocard 1-(6-amino-9H-purin-9-yl)-1-deoxy-beta-delta-Ribofuranose Adenosina 2fqy Adenosine, BioReagent, suitable for cell culture 41547-82-4 adenosine-8-13C 6-Amino-9-.beta.-ribofuranosyl-9H-purine AKOS015888594 9-.beta.-D-Ribofuranosyl-9H-purin-6-amine BDBM14487 Polyriboadenosine Sandesin Spectrum3_000288 SUN-Y4001 DSSTox_CID_2558 ZINC2169830 FT-0082881 KB-47159 MFCD00065471 NCGC00023673-04 NSC627048 beta-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy- 9beta-D-ribofuranosyl-9H-Purin-6-amine Boniton AB00384349-11 CHEBI:16335 ACT02616 Adenine-9-beta-D-ribofuranoside (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol Adenocor 177030-94-3 Adenosine (JAN/USP) 30143-02-3 Adenosine, Pharmaceutical Secondary Standard; Certified Reference Material 4cki Adenosinum 6-Amino-9beta-D-ribofuranosyl-9H-purine ANW-32994 9-beta-D-Ribofuranosidoadenine RP29522 SDCCGMLS-0003108.P003 SR-05000001981-1 D00045 Tox21_110891_1 DTXSID1022558 HMS1920A13 KSC269K8P MLS006010946 NCGC00023673-07 Nucleocardyl Bio1_000437 9beta-delta-Ribofuranosyladenine C00212 AC-27494 cid_191 Adenine 9-beta-D-arabinofuranoside adenine-9beta-delta-Ribofuranoside .beta.-D-Ribofuranoside, adenine-9 Adenosin 244769-76-4 Adenosine, 99+% 3H-adenosine Adenosine,(S) 5682-25-7 AJ-34020 9-.alpha.-D-Arabinofuranosyladenine AT-11502 9-beta-delta-Arabinofuranosyladenine Pharmakon1600-01500107 S-3476 SPECTRUM1500107 ST009496 USAF CB-10 Epitope ID:140947 HSDB 7774 MEDR-640 N6-Methylado NSC 7652 9-beta-delta-Ribofuranosyladenine bmse000061 A0152 CCG-38824 AC1Q1ID3 CTK1G9587 Adenine riboside (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol Adenocard (TN) 2gl0 Adenosine, European Pharmacopoeia (EP) Reference Standard 46946-45-6 adenosine-9-15N 6-Amino-9-beta-D-ribofuranosyl-9H-purine alpha-Adenosine 9-.beta.-d-Ribofuranosyladenine beta-Adenosine PubChem9306 SBI-0206673.P002 SR 96225 TL8003749 DSSTox_GSID_22558 [U-14C]adenosine FT-0620931 KBio3_001296 MLS000069638 NCGC00023673-05 NSC755857 beta-D-Ribofuranoside, adenine-9 9beta-D-Ribofuranosyladenine BR-77288 AB00384349_13 Ade-Rib Adenine-9-ss-D-ribofuranoside .beta.-D-Adenosine Adenoscan 1dgm Adenosine [USAN:BAN] 3axz Adenosine, United States Pharmacopeia (USP) Reference Standard 4ckj Adensoine 6-Amino-9beta-delta-ribofuranosyl-9H-purine Arabinosyl-adenine 9-beta-D-Ribofuranosyl-9H-purin-6-amine RP29523 SMR000058216 SR-05000001981-2 D06IAR TR-020367 EA6C60C2-6AFB-4264-A2F0-541373DB950E HMS2091G13 LS-15085 MolPort-001-838-229 NCGC00178869-03 OIRDTQYFTABQOQ-KQYNXXCUSA-N 9-beta-delta-Ribofuranosidoadenine Bio1_000926 9H-Purin-6-amine, 9-.beta.-d-ribofuranosyl- CAS-58-61-7 AC-8229 cid_60961 Adenine 9-beta-D-arabinofuranoside (Vidarabine) adenine-D-ribose 1-(6-amino-9H-purin-9-yl)-1-deoxy-beta-D-Ribofuranose Adenosin [German] Adenosine, >=99% 4-Aminopyrazolo[3,4-d]pyrimidine ribonucleoside adenosine-2-13C-N,1,3-15N3 58-61-7 AK-77288 9-.beta.-D-Ribofuranosidoadenine b-D-Adenosine [ 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
Displacement	10.0 %	PMID10841798	ChEMBL
EC50	23500.0 nM	PMID26356532	BindingDB,ChEMBL
EC50	24000.0 nM	PMID21388809, PMID24164628, PMID20541935	BindingDB,ChEMBL
EC50	51286.0 nM	PMID26756468	BindingDB
EC50	51286.1 nM	PMID26756468	ChEMBL
Emax	70.4 %	PMID26756468	ChEMBL
Ki	15000.0 nM	PMID15822182, PMID7746802, PMID14662005	IUPHAR
log(activity)	0.3 -	PMID26756468	ChEMBL
pKA	3.8 -	PMID26756468	ChEMBL

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