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GPCR

Name	Alpha-1A adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adra1a
Synonym	alpha1c alpha1A-adrenoceptor alpha1a Alpha-1C adrenergic receptor Alpha-1A adrenoreceptor Alpha-1A adrenoceptor alpha-1A adrenergic receptor ADRA1C alpha 1C-adrenergic receptor alpha 1A-adrenoreceptor alpha 1A-adrenoceptor adrenergic receptor, alpha 1a adrenergic receptor alpha 1c adrenergic alpha 1c receptor ADRA1L1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MVLLSENASEGSNCTHPPAPVNISKAILLGVILGGLIIFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGVRALLCVWVLSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYVPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNVPAEGGGVSSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRRQSSKHALGYTLHPPSQALEGQHRDMVRIPVGSGETFYKISKTDGVCEWKFFSSMPQGSARITVPKDQSACTTARVRSKSFLQVCCCVGSSAPRPEENHQVPTIKIHTISLGENGEEV
UniProt	P43140
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	CHEMBL319
IUPHAR	22
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	34368-04-2 rac-dobutamine 4-{2-[3-(4-Hydroxy-phenyl)-1-methyl-propylamino]-ethyl}-benzene-1,2-diol(Dobutamine) AKOS025248013 CAS-34368-04-2 D0J7RK Dobutamine (USP/INN) Dobutaminum GTPL535 MCULE-6655494898 NCGC00015321-09 NCGC00024629-03 4-(2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)benzene-1,2-diol SPBio_002364 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 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 BSPBio_000443 Compound 81929 Dobutamina [INN-Spanish] Dobutamine [USAN] DTXSID3022958 LS-174467 NCGC00015321-07 4-(2-([3-(4-Hydroxyphenyl)-1-methylpropyl]amino)ethyl)-1,2-benzenediol # racemic-Dobutamine 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 Prestwick0_000352 4-[2-[3-(4-Hydroxyphenyl)-1-methylpropylamino]ethyl]pyrocatechol SR-01000075265-9 67230-43-7 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)-, (+-)- 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 C06967 D03879 dobutamine(usp) FT-0625556 LY 81929 NCGC00015321-08 NCGC00024629-02 4-(2-{[3-(4-hydroxyphenyl)-1-methylpropyl]amino}ethyl)benzene-1,2-diol SCHEMBL21237 52663-81-7 (hydrochloride) BBL033719 CHEBI:4670 DB00841 Dobutamine hydrobromide Dobutrex JRWZLRBJNMZMFE-UHFFFAOYSA-N NCGC00015321-03 (-)-Dobutamine Prestwick1_000352 4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol STL373008 74753-15-4 (hydrobromide) 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]-, (.+/-.)- [ 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	110.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	45.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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