Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetBeta-1/Beta-2/Beta-3 adrenergic receptor
LigandBDBM50019061
Substrate/Competitorn/a
Meas. Tech.ChEMBL_41763 (CHEMBL650213)
EC50>10000±n/a nM
Citation Chen, GTKing, MGusovsky, FCreveling, CRDaly, JWChen, BHNie, JYKirk, KL Syntheses of 2,5- and 2,6-difluoronorepinephrine, 2,5-difluoroepinephrine, and 2,6-difluorophenylephrine: effect of disubstitution with fluorine on adrenergic activity. J Med Chem36:3947-55 (1994) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Beta-1/Beta-2/Beta-3 adrenergic receptor
Name:Beta-1/Beta-2/Beta-3 adrenergic receptor
Synonyms:Adrenergic receptor beta
Type:n/a
Mol. Mass.:n/a
Description:ASSAY_ID of ChEMBL is 1340543
Components:This complex has 3 components.
Component 1
Name:Beta-1 adrenergic receptor
Synonyms:ADRB1R, B1AR | ADRB1_RAT | Adrb1 | Adrb1r | Adrenergic receptor beta | Beta-1 adrenoceptor | Beta-1 adrenoreceptor | adrenergic Beta1 | adrenergic Beta1,2
Type:Protein
Mol. Mass.:50486.84
Organism:Rattus norvegicus (Rat)
Description:P18090
Residue:466
Sequence:
MGAGALALGASEPCNLSSAAPLPDGAATAARLLVLASPPASLLPPASEGSAPLSQQWTAG
MGLLLALIVLLIVVGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVV
WGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITLPFRYQSLLTRARARALVC
TVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIM
AFVYLRVFREAQKQVKKIDSCERRFLTGPPRPPSPAPSPSPGPPRPADSLANGRSSKRRP
SRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRDLVPDRLFVFFNWLGYANSA
FNPIIYCRSPDFRKAFQRLLCCARRAACRRRAAHGDRPRASGCLARAGPPPSPGAPSDDD
DDDAGATPPARLLEPWAGCNGGTTTVDSDSSLDEPGRQGFSSESKV
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 2
Name:Beta-2 adrenergic receptor
Synonyms:ADRB2_RAT | Adrb2 | Adrb2r | Adrenergic receptor beta
Type:PROTEIN
Mol. Mass.:46896.26
Organism:Rattus norvegicus
Description:ChEMBL_38603
Residue:418
Sequence:
MEPHGNDSDFLLAPNGSRAPGHDITQERDEAWVVGMAILMSVIVLAIVFGNVLVITAIAK
FERLQTVTNYFITSLACADLVMGLAVVPFGASHILMKMWNFGNFWCEFWTSIDVLCVTAS
IETLCVIAVDRYVAITSPFKYQSLLTKNKARVVILMVWIVSGLTSFLPIQMHWYRATHKQ
AIDCYAKETCCDFFTNQAYAIASSIVSFYVPLVVMVFVYSRVFQVAKRQLQKIDKSEGRF
HAQNLSQVEQDGRSGHGLRSSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIRA
NLIPKEVYILLNWLGYVNSAFNPLIYCRSPDFRIAFQELLCLRRSSSKTYGNGYSSNSNG
RTDYTGEQSAYQLGQEKENELLCEEAPGMEGFVNCQGTVPSLSIDSQGRNCNTNDSPL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 3
Name:Beta-3 adrenergic receptor
Synonyms:ADRB3_RAT | Adrb3 | Adrb3r | Adrenergic receptor beta | Beta-3 adrenergic receptor
Type:PROTEIN
Mol. Mass.:43161.83
Organism:Rattus norvegicus
Description:ChEMBL_1509452
Residue:400
Sequence:
MAPWPHKNGSLAFWSDAPTLDPSAANTSGLPGVPWAAALAGALLALATVGGNLLVITAIA
RTPRLQTITNVFVTSLATADLVVGLLVMPPGATLALTGHWPLGATGCELWTSVDVLCVTA
SIETLCALAVDRYLAVTNPLRYGTLVTKRRARAAVVLVWIVSATVSFAPIMSQWWRVGAD
AEAQECHSNPRCCSFASNMPYALLSSSVSFYLPLLVMLFVYARVFVVAKRQRRLLRRELG
RFPPEESPRSPSRSPSPATVGTPTASDGVPSCGRRPARLLPLGEHRALRTLGLIMGIFSL
CWLPFFLANVLRALVGPSLVPSGVFIALNWLGYANSAFNPLIYCRSPDFRDAFRRLLCSY
GGRGPEEPRVVTFPASPVASRQNSPLNRFDGYEGERPFPT
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50019061
n/a
NameBDBM50019061
Synonyms:(+/-)4-(2-Amino-1-hydroxy-ethyl)-5-fluoro-benzene-1,2-diol | 4-(2-Amino-1-hydroxy-ethyl)-5-fluoro-benzene-1,2-diol | 4-(2-Amino-1-hydroxy-ethyl)-5-fluoro-benzene-1,2-diol(6-FNE) | CHEMBL281232
TypeSmall organic molecule
Emp. Form.C8H10FNO3
Mol. Mass.187.1683
SMILESNCC(O)c1cc(O)c(O)cc1F
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: