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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 | CHEMBL368392 |
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Molecular formula | C32H39N5O5S |
IUPAC name | (5Z)-5-[[4-[4-[[(2S)-2-hydroxy-3-[(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxy]propyl]amino]piperidin-1-yl]phenyl]methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one |
Molecular weight | 605.754 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 4 |
XlogP | 3.4 |
Synonyms | 8-Hydroxy-5-((S)-2-hydroxy-3-{1-[4-(4-oxo-2-piperidin-1-yl-4H-thiazol-5-ylidenemethyl)-phenyl]-piperidin-4-ylamino}-propoxy)-3,4-dihydro-1H-quinolin-2-one BDBM50099165 |
Inchi Key | BFACSCQFBISBNQ-LKSMXUKOSA-N |
Inchi ID | InChI=1S/C32H39N5O5S/c38-24(20-42-27-10-9-26(39)30-25(27)8-11-29(40)34-30)19-33-22-12-16-36(17-13-22)23-6-4-21(5-7-23)18-28-31(41)35-32(43-28)37-14-2-1-3-15-37/h4-7,9-10,18,22,24,33,38-39H,1-3,8,11-17,19-20H2,(H,34,40)/b28-18-/t24-/m0/s1 |
PubChem CID | 44386374 |
ChEMBL | CHEMBL368392 |
IUPHAR | N/A |
BindingDB | 50099165 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IA | 0.0 - | PMID11327605 | ChEMBL |
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