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Name | Beta-2 adrenergic receptor |
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Species | Homo sapiens (Human) |
Gene | ADRB2 |
Synonym | beta-2 adrenergic receptor Gpcr7 beta2-adrenoceptor Adrb-2 ADRB2R [ Show all ] |
Disease | Premature labour Premature ejaculation Obesity Neurogenic bladder dysfunction Hypertension [ Show all ] |
Length | 413 |
Amino acid sequence | MGQPGNGSAFLLAPNGSHAPDHDVTQERDEVWVVGMGIVMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGAAHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPIQMHWYRATHQEAINCYANETCCDFFTNQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQLQKIDKSEGRFHVQNLSQVEQDGRTGHGLRRSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIRKEVYILLNWIGYVNSGFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGYSSNGNTGEQSGYHVEQEKENKLLCEDLPGTEDFVGHQGTVPSDNIDSQGRNCSTNDSLL |
UniProt | P07550 |
Protein Data Bank | 3nya, 3ny9, 3ny8, 3d4s, 2rh1, 3pds, 4gbr, 4lde, 6mxt, 6csy, 5x7d, 5jqh, 5d6l, 5d5b, 5d5a, 4ldo, 4ldl, 4qkx |
GPCR-HGmod model | P07550 |
3D structure model | This structure is from PDB ID 3nya. |
BioLiP | BL0257082, BL0113951, BL0113950, BL0257084, BL0257085, BL0283869, BL0333729, BL0333730, BL0333731,BL0333732,BL0333733, BL0333734, BL0333735, BL0333736,BL0333737,BL0333738, BL0113952,BL0113953,BL0113954, BL0147310, BL0257081, BL0257080, BL0232997, BL0192129, BL0257083, BL0185746,BL0185747, BL0185745, BL0185743,BL0185744, BL0185742, BL0185740,BL0185741, BL0147311,BL0147312, BL0351701,BL0351703, BL0351702,BL0351704, BL0192128, BL0433200, BL0433199, BL0430930, BL0430929, BL0388810, BL0388809, BL0354449, BL0185748, BL0354450, BL0354451,BL0354452,BL0354453, BL0388807,BL0388808 |
Therapeutic Target Database | T24555, T52522 |
ChEMBL | CHEMBL210 |
IUPHAR | 29 |
DrugBank | BE0000694 |
Name | CHEMBL63825 |
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Molecular formula | C31H29F3N6O5S |
IUPAC name | N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-[4-[[4-(trifluoromethoxy)phenoxy]methyl]triazol-2-yl]benzenesulfonamide |
Molecular weight | 654.665 |
Hydrogen bond acceptor | 13 |
Hydrogen bond donor | 3 |
XlogP | 4.7 |
Synonyms | N-[4-[2-[[(R)-2-(3-Pyridinyl)-2-hydroxyethyl]amino]ethyl]phenyl]-4-[4-[4-(trifluoromethoxy)phenoxymethyl]-2H-1,2,3-triazole-2-yl]benzenesulfonamide N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-[4-(4-trifluoromethoxy-phenoxymethyl)-[1,2,3]triazol-2-yl]-benzenesulfonamide BDBM50092027 |
Inchi Key | AWIMPECZNODLQB-PMERELPUSA-N |
Inchi ID | InChI=1S/C31H29F3N6O5S/c32-31(33,34)45-28-11-9-27(10-12-28)44-21-25-19-37-40(38-25)26-7-13-29(14-8-26)46(42,43)39-24-5-3-22(4-6-24)15-17-36-20-30(41)23-2-1-16-35-18-23/h1-14,16,18-19,30,36,39,41H,15,17,20-21H2/t30-/m0/s1 |
PubChem CID | 12049926 |
ChEMBL | CHEMBL63825 |
IUPHAR | N/A |
BindingDB | 50092027 |
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 |
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IC50 | 620.0 nM | PMID10999482 | BindingDB,ChEMBL |
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