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GPCR

Name	Adenosine receptor A2a
Species	Rattus norvegicus (Rat)
Gene	Adora2a
Synonym	A2-AR A2A receptor adenosine receptor A2a RDC8
Disease	N/A for non-human GPCRs
Length	410
Amino acid sequence	MGSSVYITVELAIAVLAILGNVLVCWAVWINSNLQNVTNFFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFFACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGVRAKGIIAICWVLSFAIGLTPMLGWNNCSQKDGNSTKTCGEGRVTCLFEDVVPMNYMVYYNFFAFVLLPLLLMLAIYLRIFLAARRQLKQMESQPLPGERTRSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCSTCRHAPPWLMYLAIILSHSNSVVNPFIYAYRIREFRQTFRKIIRTHVLRRQEPFQAGGSSAWALAAHSTEGEQVSLRLNGHPLGVWANGSATHSGRRPNGYTLGLGGGGSAQGSPRDVELPTQERQEGQEHPGLRGHLVQARVGASSWSSEFAPS
UniProt	P30543
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	CHEMBL302
IUPHAR	19
DrugBank	N/A

Ligand

Name	NECA
Molecular formula	C12H16N6O4
IUPAC name	(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight	308.298
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	-0.7
Synonyms	1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-ethyl-?-D-ribofuranuronamide 5'-Ethylcarboxamido-adenosine AC-27392 BDBM21220 GTPL377 MolPort-023-276-191 NEC [3H]adenosine-5'-(N-ethylcarboxamide) 110282-65-0 5 inverted exclamation marka-(N-Ethylcarboxamido)adenosine 5'-N-ETHYLCARBOXAMIDO-ADENOSINE Adenosine, N6-Ethyl-carboxamido HY-103173 N-Ethylcarboxamidoadenosine REGID_for_CID_448222 (2S,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide 2ydv 5'-(N-Ethylcarboxamido)adenosine, powder 78647-50-4 AKOS024456749 D0K8ZZ MLS000069759 NCGC00025260-04 SMR000058759 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-ethyl-beta-D-ribofuranuronamide 5'-ethylcarboxamidoadenosine AC1L9LQM beta-D-Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl- GTPL425 N-ETHYL-5'-CARBOXAMIDO ADENOSINE [3H]NECA (2S,3S,4R)-5-(6-Aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-oxolane-2-carboxamide 1qy5 5 inverted exclamation marka-N-ethylcarboxamidoadenosine 5'-N-Ethylcarboxamidoadenosine Adenosine-5'-(N-ethylcarboxamide) CHEMBL464859 JADDQZYHOWSFJD-FLNNQWSLSA-N NCGC00025260-02 SC-97607 (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide 35920-39-9 5'-Ethylcarboxamido Adenosine 84272-21-9 b-D-Ribofuranuronamide,1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl- D0W1XA MLS002153347 NCGC00025260-05 ZINC3995401 100111-00-0 5 inverted exclamation mark -Ethylcarboxamido Adenosine 5'-N(Sup 6)-Ethylcarboxamidoadenosine Adenosine analog, 3 CHEBI:73284 HMS2234O07 N-ethyl-5'-carboxamidoadenosine Opera_ID_470 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide 5''-N-Ethylcarboxamidoadenosine; D-NECA; NECAMolecular Formula: C12H16N6O4 74992-42-0 Adenosine-5-(N-ethylcarboxamide) CS-8131 MFCD00069195 NCGC00025260-03 SCHEMBL16585523 [ Show all ]
Inchi Key	JADDQZYHOWSFJD-FLNNQWSLSA-N
Inchi ID	InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1
PubChem CID	448222
ChEMBL	CHEMBL464859
IUPHAR	377, 425
BindingDB	21220
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	34.0 nM	PMID15267242	BindingDB,ChEMBL
EC50	394.0 nM	PMID7739005, PMID8863798, PMID7658444	BindingDB,ChEMBL
Emax	100.0 %	PMID15267242	ChEMBL
IC50	7.05 nM	PMID21664729	BindingDB,ChEMBL
IC50	366.0 nM	PMID21664729	BindingDB,ChEMBL
Ki	4.13 nM	PMID11170630	BindingDB,ChEMBL
Ki	7.8 nM	PMID7739005, PMID8863798, PMID7658444	BindingDB,ChEMBL
Ki	9.7 nM	PMID1554381	BindingDB
Ki	10.0 nM	PMID1495019, PMID9703463, PMID7707320, PMID9667957, PMID27933810	BindingDB,ChEMBL
Ki	10.3 nM	PMID3010074, PMID9703463, PMID7707320, PMID27933810	BindingDB,ChEMBL
Ki	12.0 nM	PMID22486652, PMID2795469	BindingDB,ChEMBL
Ki	12.4 nM	PMID11170643	BindingDB,ChEMBL
Ki	15.0 nM	PMID24900277, PMID23245803	BindingDB,ChEMBL
Ki	16.0 nM	PMID10212124, PMID11784146	BindingDB,ChEMBL
Ratio IC50	49.0 -	PMID21664729	ChEMBL

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