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Name | Beta-1 adrenergic receptor |
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Species | Homo sapiens (Human) |
Gene | ADRB1 |
Synonym | Adrenergic receptor beta 1 Adrb-1 ADRB1R adrenergic receptor beta 1-AR [ Show all ] |
Disease | Heart failure; Cardiogenic shock Heart failure Glaucoma Diabetes Coronary artery disease [ Show all ] |
Length | 477 |
Amino acid sequence | MGAGVLVLGASEPGNLSSAAPLPDGAATAARLLVPASPPASLLPPASESPEPLSQQWTAGMGLLMALIVLLIVAGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITSPFRYQSLLTRARARGLVCTVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIMAFVYLRVFREAQKQVKKIDSCERRFLGGPARPPSPSPSPVPAPAPPPGPPRPAAAAATAPLANGRAGKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRELVPDRLFVFFNWLGYANSAFNPIIYCRSPDFRKAFQRLLCCARRAARRRHATHGDRPRASGCLARPGPPPSPGAASDDDDDDVVGATPPARLLEPWAGCNGGAAADSDSSLDEPCRPGFASESKV |
UniProt | P08588 |
Protein Data Bank | N/A |
GPCR-HGmod model | P08588 |
3D structure model | This predicted structure model is from GPCR-EXP P08588. |
BioLiP | N/A |
Therapeutic Target Database | T44068 |
ChEMBL | CHEMBL213 |
IUPHAR | 28 |
DrugBank | BE0000172 |
Name | CHEMBL33155 |
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Molecular formula | C32H31FN6O6S |
IUPAC name | methyl N-[(4-fluorophenyl)-[3-[4-[[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]sulfamoyl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]carbamate |
Molecular weight | 646.694 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 4 |
XlogP | 3.3 |
Synonyms | BDBM50089493 N-[4-[2-[[(R)-2-(3-Pyridinyl)-2-hydroxyethyl]amino]ethyl]phenyl]-4-[5-[alpha-(methoxycarbonylamino)-4-fluorobenzyl]-1,2,4-oxadiazole-3-yl]benzenesulfonamide {(4-Fluoro-phenyl)-[3-(4-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenylsulfamoyl}-phenyl)-[1,2,4]oxadiazol-5-yl]-methyl}-carbamic acid methyl ester |
Inchi Key | AYNAFGSPQRKZFM-XLTVJXRZSA-N |
Inchi ID | InChI=1S/C32H31FN6O6S/c1-44-32(41)36-29(22-6-10-25(33)11-7-22)31-37-30(38-45-31)23-8-14-27(15-9-23)46(42,43)39-26-12-4-21(5-13-26)16-18-35-20-28(40)24-3-2-17-34-19-24/h2-15,17,19,28-29,35,39-40H,16,18,20H2,1H3,(H,36,41)/t28-,29?/m0/s1 |
PubChem CID | 44281408 |
ChEMBL | CHEMBL33155 |
IUPHAR | N/A |
BindingDB | 50089493 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 2600.0 nM | PMID10888325 | BindingDB,ChEMBL |
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