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GPCR

Name	Muscarinic acetylcholine receptor M1
Species	Homo sapiens (Human)
Gene	CHRM1
Synonym	cholinergic receptor cholinergic receptor, muscarinic 1 cholinergic receptor, muscarinic 1, CNS Chrm-1 M1 receptor M1R M1 muscarinic acetylcholine receptor [ Show all ]
Disease	Functional bowel syndrome; Irritable bowel syndrome Glaucoma Peptic ulcer Parkinsonism; Extrapyramidal disorders secondary to neuroleptic drug therapy Visceral spasms Parkinson's disease; Dystonia Parkinson's disease Neurological disease Neuropathic pain Overactive bladder disorder Excessive sweating; Stomach ulcer Cognitive disorders Chronic obstructive pulmonary disease Schizophrenia Schizophrenia; Dementia Schizophrenia; Schizoaffective disorders Unspecified Urinary incontinence Anesthesia Alzheimer disease Abdominal stomach pain; Irritable bowel syndrome [ Show all ]
Length	460
Amino acid sequence	MNTSAPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPETPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDPEAQAPTKQPPRSSPNTVKRPTKKGRDRAGKGQKPRGKEQLAKRKTFSLVKEKKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTINPMCYALCNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC
UniProt	P11229
Protein Data Bank	5cxv
GPCR-HGmod model	P11229
3D structure model	This structure is from PDB ID 5cxv.
BioLiP	BL0339262, BL0339261, BL0339263
Therapeutic Target Database	T28893
ChEMBL	CHEMBL216
IUPHAR	13
DrugBank	BE0000092

Ligand

Name	propranolol
Molecular formula	C16H21NO2
IUPAC name	1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
Molecular weight	259.349
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.0
Synonyms	Spectrum2_001699 Sumial NCGC00015798-08 Obsidan (Salt/Mix) PDSP2_001592 Propanolol Propranolol Hcl Intensol Propranololum [INN-Latin] SBI-0050871.P003 Euprovasin 3-[(methylethyl)amino]-1-naphthyloxypropan-2-ol ICI 45520 (Salt/Mix) AB0108847 Inderol AN-45556 KBio3_001902 AY 64043 L000679 Beta-Tablinen NCGC00015798-05 BPBio1_001040 (+/-)-Propranolol-D7 (ring-D7) solution, 100 mug/mL in methanol with 5% 1 M HCl, ampule of 1 mL, certified reference material CBDivE_006180 1-((1-Methylethyl)amino)-3-(1-naphthalenyloxy)-2-propanol CTK8I6896 1-(Isopropylamino)-3-(naphthalen-1-yloxy)propan-2-ol Dociton 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)- (9CI) Spectrum4_000974 [2-hydroxy-3-(naphthalen-1-yloxy)propyl](propan-2-yl)amine NCGC00024690-03 PDSP1_000767 Prestwick1_000952 Propanolol,(+/-) PROPRANOLOL,(+) Racemic propranolol Servanolol 2-Propanol, 1-(isopropylamino)-3-(1-naphthyloxy)- FT-0700657 Inderal (Salt/Mix) AC1Q1QC0 KBio1_000023 AQHHHDLHHXJYJD-UHFFFAOYSA-N KBioGR_001684 BBL023437 LS-184129 Betadren BSPBio_000944 (A+/-)-Propranolol hydrochloride CHEBI:8499 1-(alpha-naphthoxy)-3-(iso-propylamino)-2-propanol 1-Isopropylamino-3-(1-naphthyloxy)-2-propanol Efektolol SPBio_003093 ST024757 NSC91523 PDSP2_000755 Propanalol Propranolol (INN) Propranololo [DCIT] Reducor line EN300-40731 HMS2090L21 AB00053537_11 INDERIDE-40/25 ALBB-023324 KBio2_007651 Avlocardyl (Salt/Mix) Kemi S Berkolol MolPort-001-794-623 Bio1_000856 C16H21NO2 .beta.-Propranolol cMAP_000071 1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol dl-propranolol 13013-17-7 Spectrum3_000883 T7896 NCGC00015798-09 Obzidan Pranolol Propanolol [INN-Spanish] Propranolol [INN:BAN] Proprasylyt SCHEMBL12264958 F0001-3681 525-66-6 IDI1_000023 AC1L1JA4 Intermigran Anaprilin KBio3_002993 AY-20694 Lopac0_000896 Beta-Timelets NCGC00015798-06 BRD-A10070317-003-06-9 (.+/-.)-Propranolol CCG-103643 1-((1-Methylethyl)amino)-3-(1-naphthyloxy)-2-propanol D,L-Propranolol 1-(isopropylamino)-3-naphthalen-1-yloxy-propan-2-ol Dociton (Salt/Mix) 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-, (+-)- SPBio_001361 Spectrum4_001222 NINDS_000023 PDSP1_001607 Prestwick2_000952 Propranalol PROPRANOLOL,(-) racemic-Propranolol 2-Propanol, 1-(isopropylamino)-3-(1-naphthyloxy)-, (+-)- GTPL564 AB00053537 Inderal hydrochloride AKOS000588816 KBio2_002515 ARONIS27011 KBioGR_002515 BDBM25761 MCULE-7804628650 Betalong BSPBio_002682 (S)-(-)-PROPRANOLOL 1-(alpha-naphthoxy)-3-(isopropylamino)-2-propanol DB00571 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol EINECS 208-378-0 Spectrum2_001301 STK735510 NCGC00015798-07 Obsidan PDSP2_001591 Propanix Propranolol (TN) Propranololum Sawatal etalong 3-(naphthalen-1-yloxy)-1-(propan-2-ylamino)propan-2-ol HMS3428G03 AB00053537_12 INDERIDE-80/25 AN-18866 KBio3_001766 AY 20694 KS-00002WT3 beta-Propranolol NCGC00015798-04 Bio1_001345 (+-)-Propranolol Caridolol 1(-alpha-naphthoxy)-3-(iso-propylamino)-2-propanol Corpendol 1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol DL-Propranolol hydrochloride 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)- Spectrum3_001071 W-109550 NCGC00024690-02 Oprea1_304193 Prestwick0_000952 PROPANOLOL(-) PROPRANOLOL, d R,S-Propranolol Hydrochloride SCHEMBL3955 2-Propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-, (+-)- (9CI) FE-0204 525P666 Inderal AC1Q1QBV KB-123971 Anapriline KBioGR_001347 b-Propranolol LS-122410 Betachron BRD-A10070317-003-17-6 (1)-1-(Isopropylamino)-3-(naphthyloxy)propan-2-ol CCRIS 3082 1-(1-Naphthyloxy)-2-hydroxy-3-(isopropylamino)propane D08443 1-(naphthalen-1-yloxy)-3-(propan-2-ylamino)propan-2-ol DTXSID6023525 SPBio_001658 Spectrum5_000751 NSC 91523 (Salt/Mix) PDSP1_001608 Prestwick3_000952 propranololo Reducor 2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)- hemangiol AB00053537-10 Inderex AKOS016050338 KBio2_005083 Avlocardyl KBioSS_002523 Bedranol Migrastat Bio1_000367 C07407 CHEMBL27 1-(Isopropylamino)-3-(1-naphthoxy)-propan-2-ol DivK1c_000023 1-[(1-methylethyl)amino]-3-(naphthalen-1-yloxy)propan-2-ol EINECS 235-867-6 [ Show all ]
Inchi Key	AQHHHDLHHXJYJD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
PubChem CID	4946
ChEMBL	CHEMBL27
IUPHAR	564
BindingDB	25761
DrugBank	DB00571
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<5011.87 nM	PMID26565745	ChEMBL
IC50	<5011.87 nM	PMID26565745	ChEMBL

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