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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
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	PAPP
Molecular formula	C19H22F3N3
IUPAC name	4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]aniline
Molecular weight	349.401
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.0
Synonyms	BPBio1_000375 D0T4PS Lopac-S-009 LY-165,163; p-Aminophenethyl-m-trifluoromethylphenyl piperazine NCGC00015907-05 p-NH2-PE-Tfmpp Tox21_501132 4-[2-[4-[3-(Trifluoromethyl)phenyl]-1-piperazinyl]ethyl]benzeneamine AC1L3TO7 CCG-205206 GTPL18 LS-173712 MLS000859974 NCGC00094399-03 S-009 Benzenamine, 4-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)- CHEMBL1256693 HMS3369D03 LY-165,163 NCGC00015907-03 NSC628235 SR-01000075576 1814-64-8 4-[2-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]ethyl]aniline BRD-K14282469-001-01-5 DTXSID30171136 Lopac0_001132 LY-165163 NCGC00094399-01 UNII-8HAJ699EWG AC1Q4K3D CHEBI:92250 HMS2232I03 LY 165,163 NCGC00015907-01 NCGC00261817-01 SCHEMBL3976547 1-(2-(4-Aminophenyl)ethyl)-4-(3-trifluoromethylphenyl)piperazine Biomol-NT_000160 CTK8D5097 J-011585 LY-165,163, solid NCGC00015907-04 p-Aminophenethyl-m-trifluoromethylphenyl piperazine SR-01000075576-1 4-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)aniline 8HAJ699EWG C19H22F3N3 EU-0101132 LP01132 MFCD00055098 NCGC00094399-02 PAPP (LY-165,163) SELECTIVE 5-HT1A SERO ZINC1619831 AKOS030547154 HMS3263D05 LY 165163 NCGC00015907-02 NCI60_009079 SMR000326833 [ Show all ]
Inchi Key	GAAKALASJNGQKD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H22F3N3/c20-19(21,22)16-2-1-3-18(14-16)25-12-10-24(11-13-25)9-8-15-4-6-17(23)7-5-15/h1-7,14H,8-13,23H2
PubChem CID	121930
ChEMBL	CHEMBL1256693
IUPHAR	18
BindingDB	N/A
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	11220.2 nM	PubChem BioAssay data set	ChEMBL
Potency	14125.4 nM	PubChem BioAssay data set	ChEMBL

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