Ki Summary

Reaction Details

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Target

Adenosine receptor A1

Ligand

BDBM50085658

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1868856 (CHEMBL4369922)

0.210000±n/a nM

Citation

Tosh, DK; Rao, H; Bitant, A; Salmaso, V; Mannes, P; Lieberman, DI; Vaughan, KL; Mattison, JA; Rothwell, AC; Auchampach, JA; Ciancetta, A; Liu, N; Cui, Z; Gao, ZG; Reitman, ML; Gavrilova, O; Jacobson, KA Design and in Vivo Characterization of A J Med Chem62:1502-1522 (2019) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Adenosine receptor A1

Name:

Adenosine receptor A1

Synonyms:

AA1R_MOUSE | Adenosine A1 receptor | Adenosine receptor A1 | Adora1

Type:

PROTEIN

Mol. Mass.:

36646.06

Organism:

Mus musculus

Description:

ChEMBL_479902

Residue:

326

Sequence:

MPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGA
LVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVT
QRRAAVAIAGCWILSLVVGLTPMFGWNNLSEVEQAWIANGSVGEPVIKCEFEKVISMEYM
VYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALIL
FLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFL
KIWNDHFRCQPKPPIEEDIPEEKADD

BDBM50085658

n/a

Name

BDBM50085658

Synonyms:

(2R,3R,4S,5R)-2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol | (2R,3R,4S,5R)-2-(2-chloro-6-(cyclopentylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol | 2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol | 2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol(CCPA) | 2-Cl-CPA | 2-chloro-N6-cyclopentyladenosine | 5-(2-Chloro-6-cyclopentylamino-purin-9-yl)-tetrahydro-furan-2,3,4-triol | CCPA | CHEMBL284969 | N6-Cyclopentyl-2-chloroAdo

Type

Small organic molecule

Emp. Form.

C15H20ClN5O4

Mol. Mass.

369.803

SMILES

OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|

Structure