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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	Sch 58261
Molecular formula	C18H15N7O
IUPAC name	4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
Molecular weight	345.366
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.4
Synonyms	2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine(SCH 58261) 7-(2-phenylethyl)-5-amino-2-(2-furyl)-pyrazolo-[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine AS-16830 CHEBI:93424 DB-043446 HY-19533 MolPort-003-983-679 s8104 Tox21_501259 4309023MAH AJ-08272 BDBM50048466 CS-5639 FT-0643554 KS-00000H1R NCGC00261944-01 Sch-58261 ZB000632 160098-96-4 2-(Furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine 5-amino-7-(phenylethyl)-2-(2-furyl)-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine AN-17000 C-35635 D0J8LD HMS3263L20 LS-184256 PF-1913539 SP-341 [3H]SCH 58261 4-(furan-2-yl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-7-amine 7H-Pyrazolo(4,3-e)(1,2,4)triazolo(1,5-c)pyrimidin-5-amine, 2-(2-furanyl)-7-(2-phenylethyl)- B6995 DTXSID80166799 J-009674 NCGC00092350-01 UNII-4309023MAH AK-60772 BN0475 CTK8E9527 GTPL403 L000548 PDSP1_001199 Sch58261 ZINC6170 2-(2-Furanyl)-7-(2-phenylethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo [1,5-c]pyrimidin-5-amine 2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine AOB5053 CCG-222563 D0S6KU HMS3268F20 MFCD00933778 RT-015677 ST24039655 AC1L423J BCP14638 CHEMBL17127 EX-A1464 KB-275290 NCGC00092350-02 SCH 58261, >=98% (HPLC), solid UTLPKQYUXOEJIL-UHFFFAOYSA-N 2-(2-Furanyl)-7-(2-phenylethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine 5-Amino-7-(2-phenylethyl)-2-(2-furyl)-pyrazolo(4,3-e)-1,2,4-triazolo(1,5-c)pyrimidine AKOS022181216 BRD-K81225797-001-01-5 D07ESH GTPL431 LP01259 PDSP2_001183 SCHEMBL537287 [3H]-SCH 58261 [ Show all ]
Inchi Key	UTLPKQYUXOEJIL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H15N7O/c19-18-22-16-13(11-20-24(16)9-8-12-5-2-1-3-6-12)17-21-15(23-25(17)18)14-7-4-10-26-14/h1-7,10-11H,8-9H2,(H2,19,22)
PubChem CID	176408
ChEMBL	CHEMBL17127
IUPHAR	431, 403
BindingDB	50048466
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kd	0.7 nM	PMID24164628	BindingDB
Kd	0.7 nM	PMID24164628	ChEMBL
Ki	2.3 nM	, PMID9622554, PMID8676354, Bioorg. Med. Chem. Lett., (1994) 4:21:2539, PMID12646033	BindingDB,ChEMBL
Ki	37.0 nM	PMID15771443, PMID15566292, PMID15341934, PMID15664803, PMID15341933, PMID15294001	BindingDB,ChEMBL
Ki	1900.0 nM	PMID8558508	BindingDB,ChEMBL

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