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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 | NSC157267 |
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Molecular formula | C13H16ClNO2 |
IUPAC name | (E)-3-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)prop-2-enamide |
Molecular weight | 253.726 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 2 |
XlogP | 2.3 |
Synonyms | (E)-3-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)prop-2-enamide AC1O3OFM CHEMBL3884786 AKOS005832485 NSC-157267 |
Inchi Key | PRRQIMZFWXXIRY-VMPITWQZSA-N |
Inchi ID | InChI=1S/C13H16ClNO2/c1-2-12(9-16)15-13(17)8-5-10-3-6-11(14)7-4-10/h3-8,12,16H,2,9H2,1H3,(H,15,17)/b8-5+ |
PubChem CID | 6310476 |
ChEMBL | CHEMBL3884786 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Inhibition | -0.4 % | PMID27876250 | ChEMBL |
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