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GPCR

Name	Mu-type opioid receptor
Species	Homo sapiens (Human)
Gene	OPRM1
Synonym	hMOP M-OR-1 MOP opioid receptor, mu 1 opioid receptor MOPr MOR-1 Mu opiate receptor Mu opioid receptor mu receptor OP3 [ Show all ]
Disease	Diarrhea Inflammatory disease Pain Major depressive disorder Migraine Mild pain Moderate-to-severe acute pain Opioid-induced constipation Opiate dependence Urinary incontinence Movement disorder Obesity Non-small cell lung cancer Systemic pain Headache Analgesia Anesthesia Asthma Cancer pain Chronic pain Constipation Diabetic neuropathy Unspecified Gastrointestinal disease Gastrointestinal disease; Pain General anesthesia Narcotic depression [ Show all ]
Length	400
Amino acid sequence	MDSSAAPTNASNCTDALAYSSCSPAPSPGSWVNLSHLDGNLSDPCGPNRTDLGGRDSLCPPTGSPSMITAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIINVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALVTIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSNIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETAPLP
UniProt	P35372
Protein Data Bank	N/A
GPCR-HGmod model	P35372
3D structure model	This predicted structure model is from GPCR-EXP P35372.
BioLiP	N/A
Therapeutic Target Database	T47768
ChEMBL	CHEMBL233
IUPHAR	319
DrugBank	BE0000770

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
EC50	92470.0 nM	N/A	BindingDB

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