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Name | Adenosine receptor A1 |
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Species | Homo sapiens (Human) |
Gene | ADORA1 |
Synonym | RDC7 A1 receptor A1-AR A1R adenosine receptor A1 |
Disease | Cardiac arrhythmias Hypertension Cardiac disease Cognitive disorders Diabetes [ Show all ] |
Length | 326 |
Amino acid sequence | MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD |
UniProt | P30542 |
Protein Data Bank | 6d9h, 5n2s |
GPCR-HGmod model | P30542 |
3D structure model | This structure is from PDB ID 6d9h. |
BioLiP | BL0385576, BL0417675 |
Therapeutic Target Database | T88714, T92072 |
ChEMBL | CHEMBL226 |
IUPHAR | 18 |
DrugBank | BE0000013 |
Name | Sch 58261 |
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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 | NCGC00092350-02 SCH 58261, >=98% (HPLC), solid UTLPKQYUXOEJIL-UHFFFAOYSA-N AC1L423J BCP14638 [ 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 | 403, 431 |
BindingDB | 50048466 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 287.0 nM | PMID15149696, PMID11809867, PMID9933143 | PDSP,BindingDB,ChEMBL |
Ki | 287.0 nM | PMID15149696 | BindingDB |
Ki | 463.0 nM | PMID15163184 | BindingDB,ChEMBL |
Ki | 501.187 - 794.328 nM | PMID8300561, PMID9933143, PMID16518376 | IUPHAR |
Ki | 549.0 nM | PMID22204739, PMID9622554, PMID24164628, PMID11754583 | BindingDB,ChEMBL |
Ki | 594.1 nM | PMID20303771 | BindingDB,ChEMBL |
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