Reaction Details
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Adenosine receptor A1
Ligand
BDBM50457087
Substrate
n/a
Meas. Tech.
ChEMBL_1758723 (CHEMBL4193731)
Ki
1700±n/a nM
Citation
Basu, S; Barawkar, DA; Ramdas, V; Naykodi, M; Shejul, YD; Patel, M; Thorat, S; Panmand, A; Kashinath, K; Bonagiri, R; Prasad, V; Bhat, G; Quraishi, A; Chaudhary, S; Magdum, A; Meru, AV; Ghosh, I; Bhamidipati, RK; Raje, AA; Madgula, VLM; De, S; Rouduri, SR; Palle, VP; Chugh, A; Hariharan, N; Mookhtiar, KA Discovery of Potent and Selective A ACS Med Chem Lett 8:835-840 (2017) [PubMed] Article More Info.:
Target
Name:
Adenosine receptor A1
Synonyms:
A1 adenosine receptor (hA1) | A1AR | ADENOSINE A1 | Adenosine A1 receptor (A1AR) | Adenosine A1-receptor | Adenosine receptor A1 (A1) | Adenosine receptor A1 (hA1) | Adenosine transporter (AdT) | AA1R_HUMAN | ADORA1
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
36520.92
Organism:
Human
Description:
P30542
Residue:
326
Sequence:
MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD
Inhibitor
Name:
BDBM50457087
Synonyms:
CHEMBL4205341
Type:
Small organic molecule
Emp. Form.:
C26H31N9O4
Mol. Mass.:
533.59
SMILES:
COCCOc1ccc(cc1)N1CCN(CCn2c3nc(N)n4nc(nc4c3n(C)c2=O)-c2ccco2)CC1
Structure:
