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Name | Alpha-1B adrenergic receptor |
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Species | Homo sapiens (Human) |
Gene | ADRA1B |
Synonym | alpha1B-adrenoceptor alpha1B-adrenergic receptor Alpha-1B adrenoreceptor Alpha-1B adrenoceptor alpha 1B-adrenoreceptor [ Show all ] |
Disease | Psychiatric disorder Hypertension Exogenous obesity Attention deficit hyperactivity disorder |
Length | 520 |
Amino acid sequence | MNPDLDTGHNTSAPAHWGELKNANFTGPNQTSSNSTLPQLDITRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAMADLLLSFTVLPFSAALEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFVRILGCQCRGRGRRRRRRRRRLGGCAYTYRPWTRGGSLERSQSRKDSLDDSGSCLSGSQRTLPSASPSPGYLGRGAPPPVELCAFPEWKAPGALLSLPAPEPPGRRGRHDSGPLFTFKLLTEPESPGTDGGASNGGCEAAADVANGQPGFKSNMPLAPGQF |
UniProt | P35368 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | T29500 |
ChEMBL | CHEMBL232 |
IUPHAR | 23 |
DrugBank | BE0000575 |
Name | CHEMBL19376 |
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Molecular formula | C19H28N6O3 |
IUPAC name | (2S)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-tert-butylpiperazine-2-carboxamide |
Molecular weight | 388.472 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 1.3 |
Synonyms | (S)-4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piperazine-2-carboxylic acid tert-butylamide BDBM50063908 (2S)-N-tert-Butyl-4-(4-amino-6,7-dimethoxyquinazoline-2-yl)piperazine-2alpha-carboxamide FACJCZHMOYUSSW-ZDUSSCGKSA-N 4-Amino-6,7-dimethoxy-2-[(3S)-3-(t-butylcarbamoyl)-1-piperazinyl]quinazoline [ Show all ] |
Inchi Key | FACJCZHMOYUSSW-ZDUSSCGKSA-N |
Inchi ID | InChI=1S/C19H28N6O3/c1-19(2,3)24-17(26)13-10-25(7-6-21-13)18-22-12-9-15(28-5)14(27-4)8-11(12)16(20)23-18/h8-9,13,21H,6-7,10H2,1-5H3,(H,24,26)(H2,20,22,23)/t13-/m0/s1 |
PubChem CID | 10739024 |
ChEMBL | CHEMBL19376 |
IUPHAR | N/A |
BindingDB | 50063908 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 31.0 nM | PMID9548811 | BindingDB,ChEMBL |
Ki | 25.0 nM | PMID9548811 | BindingDB,ChEMBL |
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