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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Muscarinic acetylcholine receptor M1
Species	Rattus norvegicus (Rat)
Gene	Chrm1
Synonym	cholinergic receptor, muscarinic 1 cholinergic receptor, muscarinic 1, CNS cholinergic receptor M1 muscarinic acetylcholine receptor M1 receptor M1R Chrm-1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	460
Amino acid sequence	MNTSVPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPESPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDSEAQAPTKQPPKSSPNTVKRPTKKGRDRGGKGQKPRGKEQLAKRKTFSLVKEKKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTVNPMCYALCNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC
UniProt	P08482
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	CHEMBL276
IUPHAR	13
DrugBank	N/A

Ligand

Name	corynanthine
Molecular formula	C21H26N2O3
IUPAC name	methyl (1S,15R,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Molecular weight	354.45
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.9
Synonyms	(1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-indolo[2'',3'':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acid methyl ester AKOS024282584 BSPBio_000396 EINECS 207-590-0 methyl (1S,15R,18S,19S,20S)-18-hydroxy-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8-tetraene-19-carboxylate NSC 407306 SMP1_000080 ZINC3861548 483-10-3 Bio1_000961 HMS2231N15 MLS001332619 Prestwick2_000578 ST057156 AC1L3OSP BPBio1_000436 MEGxp0_001869 NCGC00015878-02 Rauhimbine Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16beta,17alpha)- (9CI) 17\|A-Hydroxyyohimban-16\|A-carboxylic acid methyl ester BDBM50027058 CCG-208620 F5Z7C9RK8U methyl (3S,4S,4aS,5aS,14aR)-3-hydroxy-1,2,3,4,5,11,14,14a,4a,5a-decahydrobenzo [3,2-g]indolo[2,3-a]quinolizine-4-carboxylate Prestwick0_000578 SMR000857089 Bio1_001450 CHEMBL31410 Lopac-R-104 MLS001332620 Prestwick3_000578 UNII-F5Z7C9RK8U (1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-indolo[2'''',3'''':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acid methyl ester ACon1_002064 BRD-K06467078-003-03-7 D00GEE Methyl (16beta,17alpha)-17-hydroxyyohimban-16-carboxylate NCGC00016294-06 SCHEMBL178061 Yohimban-16beta-carboxylic acid, 17alpha-hydroxy-, methyl ester (8CI) 2-Hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-indolo[2'',3'':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acid methyl ester Bio1_000472 CHEBI:92122 GTPL5345 methyl hydroxy[?]carboxylate Prestwick1_000578 SPBio_002615 6613AF BLGXFZZNTVWLAY-DKJBZYCGSA-N Corynanthin Lopac-Y-3125 NCGC00015878-01 Rauhimbin Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16beta,17alpha)- [ Show all ]
Inchi Key	BLGXFZZNTVWLAY-DKJBZYCGSA-N
Inchi ID	InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19-/m0/s1
PubChem CID	92766
ChEMBL	CHEMBL31410
IUPHAR	N/A
BindingDB	50027058
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	794.3 nM	PubChem BioAssay data set	ChEMBL
Potency	14125.4 nM	PubChem BioAssay data set	ChEMBL
Potency	31622.8 nM	PubChem BioAssay data set	ChEMBL

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