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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 hydrochloride
Molecular formula	C18H24ClNO3
IUPAC name	4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol;hydrochloride
Molecular weight	337.844
Hydrogen bond acceptor	4
Hydrogen bond donor	5
XlogP	None
Synonyms	MolPort-003-940-916 4-(2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)benzene-1,2-diol hydrochloride Prestwick_741 A827836 SR-01000075265-1 AX8016940 CHEBI:4671 D4335 Dobutamine hydrochloride in dextrose 5% DOBUTAMINEHYDROCHLORIDE HY-15746 LS-29983 1,2-Benzenediol, 4-(2-((3-(4-hydroxyphenyl)-1-methylpropyl)amino)ethyl)-, hydrochloride, (+-)- 3,4-Dihydroxy-N-[3-(4-hydroxyphenyl)-1-methylpropyl]-beta-phenethylamine Hydrochloride NCGC00261050-01 4-[2-[[3-(4-hydroxyphenyl)-1-methyl-propyl]amino]ethyl]benzene-1,2-diol hydrochloride REGID_for_CID_65324 AC-11653 Tox21_500365 BG0171 CHM0029387 Dobutamine (hydrochloride) Dobutamine hydrochloride [USAN:USP:BAN:JAN] EINECS 256-464-1 KB-289664 (+-)-4-(2-((3-(p-Hydroxyphenyl)-1-methylpropyl)amino)ethyl)pyrocatechol hydrochloride MFCD00153795 MLS001332504 4-(2-(4-(4-hydroxyphenyl)butan-2-ylamino)ethyl)benzene-1,2-diol hydrochloride NSC299583 49745-95-1 SMR000058435 AKOS015907731 CCG-220352 D 0676 Dobutamine hydrochloride, European Pharmacopoeia (EP) Reference Standard FT-0681170 LP00365 1, 4-[2-[[3-(4-hydroxyphenyl)-1-methylpropyl]amino]ethyl]-, hydrochloride, (.+-.)- NCGC00093799-01 4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol hydrochloride Q711 AB0017762 SR-01000075265-3 BC202981 DL-Dobutamine hydrochloride Dobutamine hydrochloride in dextrose 5% in plastic container Dobutrex I14-2722 ( inverted exclamation markA)-3,4-Dihydroxy-N-[3-(4-hydroxyphenyl)-1-methylpropyl]-\|A-phenethylamine hydrochloride; 4-[2-[[3-(4-Hydroxyphenyl)-1-methylpropyl]amino]ethyl]-1,2-benzenediol hydrochloride LY 46236 1,2-Benzenediol, 4-(2-((3-(4-hydroxyphenyl)-1-methylpropyl)amino)ethyl)-, hydrochloride,(+-)- 368D042 NSC 299583 4-[2-[[3-(4-Hydroxyphenyl)-1-methylpropyl]aminoethyl-1,2-benzenediol hydrochloride S-1000 AC1L231V TR-036978 BQKADKWNRWCIJL-UHFFFAOYSA-N CS-3099 Dobutamine Hcl Dobutamine hydrochloride, >=98% EU-0100365 KS-000016OW (+/-)-3,4-Dihydroxy-N-[3-(4-hydroxyphenyl)-1-methylpropyl]-beta-phenethylamine hydrochloride MLS000860012 MLS002222253 4-(2-{[3-(4-hydroxyphenyl)-1-methylpropyl]amino}ethyl)benzol-1,2-diolhydrochlorid Posiject 52663-81-7 SR-01000075265 AN-6582 CCG-221669 D00632 Dobutamine hydrochloride (JP17/USP) Dobutamine hydrochloride, United States Pharmacopeia (USP) Reference Standard HMS1569G05 LS-175120 1,2-Benzenediol, 4-(2-((3-(4-hydroxyphenyl)-1-methylpropyl)amino)ethyl)-, hydrochloride 1,2-Benzenediol, 4-[2-[[3-(4-hydroxyphenyl)-1-methylpropyl]amino]ethyl]-, hydrochloride (1:1) NCGC00093799-02 4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol;hydrochloride rac Dobutamine Hydrochloride AB1009505 SR-01000075265-6 BCP13026 CHEMBL1200418 Dobutamina clorhidrato [Spanish] Dobutamine hydrochloride [USAN:BAN:JAN] Dobutrex (TN) Inotrex ( inverted question mark)-4-[2-[[3-(4-Hydroxyphenyl)-1-methylpropyl]amino]ethyl]-1,2-benzenediol hydrochloride LY-46236 4-(2-((3-(p-Hydroxyphenyl)-1-methylpropyl)amino)ethyl)pyrocatecholhydrochloride NSC-299583 4-[2-[[3-(4-Hydroxyphenyl)-1-methylpropyl]amino]ethyl]-1,2-benzenediol hydrochloride SCHEMBL41609 AC1Q3F7E W-106009 CC-27337 CTK1D5917 DOBUTAMINE HCL IN DEXTROSE 5% IN PLASTIC CONTAINER Dobutamine hydrochloride, British Pharmacopoeia (BP) Reference Standard FT-0625557 KS-1050 (.+-.)-4-[2-[[3-(p-Hydroxyphenyl)-1-methylpropyl]amino]ethyl]pyrocatechol hydrochloride MLS001332503 [ Show all ]
Inchi Key	BQKADKWNRWCIJL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H23NO3.ClH/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;1H
PubChem CID	65324
ChEMBL	CHEMBL1200418
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
EC50	92535.0 nM	PubChem BioAssay data set	ChEMBL

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