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GPCR

Name	Alpha-1B adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adra1b
Synonym	adrenergic receptor alpha 1B-adrenoceptor alpha 1B-adrenoreceptor adrenergic alpha 1B receptor Alpha-1B adrenoceptor Alpha-1B adrenoreceptor alpha1B-adrenergic receptor alpha1B-adrenoceptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	515
Amino acid sequence	MNPDLDTGHNTSAPAHWGELKDDNFTGPNQTSSNSTLPQLDVTRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAIADLLLSFTVLPFSATLEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFMRILGCQCRGGRRRRRRRRLGACAYTYRPWTRGGSLERSQSRKDSLDDSGSCMSGTQRTLPSASPSPGYLGRGTQPPVELCAFPEWKPGALLSLPEPPGRRGRLDSGPLFTFKLLGDPESPGTEGDTSNGGCDTTTDLANGQPGFKSNMPLAPGHF
UniProt	P15823
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL315
IUPHAR	23
DrugBank	N/A

Ligand

Name	dobutamine
Molecular formula	C18H23NO3
IUPAC name	4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol
Molecular weight	301.386
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	3.4
Synonyms	BPBio1_000489 CHEMBL926 Dobutamin Dobutamine [USAN:BAN:INN] DSSTox_GSID_22958 Lilly 81929 NCGC00015321-05 1,2-Benzenediol, 4-(2-((3-(4-hydroxyphenyl)-1-methylpropyl)amino)ethyl)-, (+-)- Prestwick0_000352 4-[2-[3-(4-Hydroxyphenyl)-1-methylpropylamino]ethyl]pyrocatechol SR-01000075265-9 67230-43-7 C06967 D03879 dobutamine(usp) FT-0625556 LY 81929 NCGC00015321-08 3,4-dihydroxy-N-[3-(4-hydroxyphenyl)-1-methylpropyl]-beta-phenylethylamine Prestwick3_000352 4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-ethyl}-benzene-1,2-diol Tox21_110126_1 AC1Q7AD1 BBL033719 CHEBI:4670 DB00841 Dobutamine hydrobromide Dobutrex JRWZLRBJNMZMFE-UHFFFAOYSA-N NCGC00015321-03 (-)-Dobutamine NCGC00024629-02 4-(2-{[3-(4-hydroxyphenyl)-1-methylpropyl]amino}ethyl)benzene-1,2-diol SCHEMBL21237 52663-81-7 (hydrochloride) BRD-A78322124-003-03-3 cid_36811 Dobutamina Dobutamine [USAN:USP:INN:BAN] DSSTox_RID_76807 Lopac0_000365 NCGC00015321-06 1,2-Benzenediol, 4-[2-[[3-(4-hydroxyphenyl)-1-methylpropyl]amino]ethyl]-, (.+/-.)- Prestwick1_000352 4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol STL373008 74753-15-4 (hydrobromide) CAS-34368-04-2 D0J7RK Dobutamine (USP/INN) Dobutaminum GTPL535 MCULE-6655494898 NCGC00015321-09 34368-04-2 rac-dobutamine 4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-ethyl}-benzene-1,2-diol(Dobutamine) AKOS025248013 BDBM50325274 DL-dobutamine Dobutamine Tartrate (1:1), (S-(R,R))-Isomer DSSTox_CID_2958 L001157 NCGC00015321-04 (.+/-.)-4-[2-[[3-(p-Hydroxyphenyl)-1-methylpropyl]amino]ethyl]pyrocatechol NCGC00024629-03 4-(2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)benzene-1,2-diol SPBio_002364 BSPBio_000443 Compound 81929 Dobutamina [INN-Spanish] Dobutamine [USAN] DTXSID3022958 LS-174467 NCGC00015321-07 1,2-Benzenediol, 4-[2-[[3-(4-hydroxyphenyl)-1-methylpropyl]amino]ethyl]-, hydrochloride Prestwick2_000352 4-[2-[[3-(4-hydroxyphenyl)-1-methyl-propyl]amino]ethyl]benzene-1,2-diol Tox21_110126 AC1L1WFF API0014455 CCG-204460 Dobutamine Hcl in Dextrose 5% Dobutaminum [INN-Latin] HMS2089K05 MolPort-006-167-641 (+-)-4-(2-((3-(p-Hydroxyphenyl)-1-methylpropyl)amino)ethyl)pyrocatechol NCGC00015321-11 4-(2-([3-(4-Hydroxyphenyl)-1-methylpropyl]amino)ethyl)-1,2-benzenediol # racemic-Dobutamine [ Show all ]
Inchi Key	JRWZLRBJNMZMFE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H23NO3/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15/h4-9,12-13,19-22H,2-3,10-11H2,1H3
PubChem CID	36811
ChEMBL	CHEMBL926
IUPHAR	535
BindingDB	50325274
DrugBank	DB00841
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	336.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	186.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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