Ki Summary

Reaction Details

Report a problem with these data

Target

Adenosine receptor A2a

Ligand

BDBM50342519

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_744656 (CHEMBL1772677)

111±n/a nM

Citation

Kumar, TS; Mishra, S; Deflorian, F; Yoo, LS; Phan, K; Kecskés, M; Szabo, A; Shinkre, B; Gao, ZG; Trenkle, W; Jacobson, KA Molecular probes for the A2A adenosine receptor based on a pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine scaffold. Bioorg Med Chem Lett21:2740-5 (2011) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Adenosine receptor A2a

Name:

Adenosine receptor A2a

Synonyms:

Type:

G Protein-Coupled Receptor (GPCR)

Mol. Mass.:

44716.46

Organism:

Homo sapiens (Human)

Description:

P29274

Residue:

412

Sequence:

MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAI
PFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTR
AKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYF
NFFACVLVPLLLMLGVYLRIFLAARRQLKQMESQPLPGERARSTLQKEVHAAKSLAIIVG
LFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFR
KIIRSHVLRQQEPFKAAGTSARVLAAHGSDGEQVSLRLNGHPPGVWANGSAPHPERRPNG
YALGLVSGGSAQESQGNTGLPDVELLSHELKGVCPEPPGLDDPLAQDGAGVS

BDBM50342519

n/a

Name

BDBM50342519

Synonyms:

CHEMBL1771809 | triethylammonium 5-(2-(2-(4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)phenoxy)acetamido)ethylcarbamoyl)-2-(6-amino-3-iminio-4,5-disulfonato-3H-xanthen-9-yl)benzoate

Type

Small organic molecule

Emp. Form.

C44H35N11O13S2

Mol. Mass.

989.946

SMILES

Nc1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCNC(=O)COc3ccc(CCCn4ncc5c4nc(N)n4nc(nc54)-c4ccco4)cc3)c3ccc(=[NH2+])c(c3oc2c1S([O-])(=O)=O)S([O-])(=O)=O |(9.9,8.23,;8.57,7.44,;7.23,8.2,;5.91,7.42,;5.93,5.89,;4.6,5.12,;3.27,5.88,;3.26,7.43,;1.92,8.19,;.6,7.41,;.6,5.87,;1.93,5.1,;1.15,3.78,;1.91,2.44,;-.39,3.79,;-.74,8.17,;-.75,9.71,;-2.07,7.4,;-3.41,8.16,;-4.74,7.39,;-6.08,8.16,;-7.41,7.38,;-7.41,5.84,;-8.75,8.15,;-10.08,7.37,;-10.08,5.83,;-11.41,5.06,;-11.41,3.52,;-10.07,2.74,;-10.07,1.2,;-8.74,.43,;-8.74,-1.11,;-7.41,-1.88,;-7.24,-3.41,;-5.73,-3.73,;-4.97,-2.39,;-5.99,-1.25,;-5.52,.21,;-4.01,.52,;-3.53,1.98,;-2.99,-.62,;-1.45,-.63,;-.98,-2.09,;-2.23,-2.99,;-3.47,-2.08,;.49,-2.57,;.96,-4.04,;2.5,-4.05,;2.98,-2.58,;1.74,-1.67,;-8.74,3.52,;-8.74,5.07,;4.62,3.58,;3.29,2.81,;3.29,1.27,;4.63,.51,;4.64,-1.03,;5.95,1.28,;5.94,2.81,;7.28,3.58,;7.26,5.13,;8.58,5.91,;9.93,5.15,;9.94,3.61,;11.01,6.25,;11.41,4.76,;7.29,.52,;7.29,-1.02,;8.05,1.86,;8.77,.13,)|

Structure