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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	152121-47-6
Molecular formula	C21H16FN3OS
IUPAC name	4-[4-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine
Molecular weight	377.437
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.2
Synonyms	4-[5-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-3H-imidazol-4-yl]pyridine NCGC00025035-03 AB0033710 Pyridine, 4-(4-(4-fluorophenyl)-2-(5-((S)-methylsulfinyl)phenyl)-1H-imidazol-4-yl)- AOB6367 RWJ 64809 Bio1_000745 SB 203580 BSPBio_001104 SB203580,RWJ 64809,PB 203580 SYN1074 DTXSID2040577 US9187470, 104 (SB203580) HMS3229O04 I14-10276 4-(4-Fluorophenyl)-2-(4-methylsulfinylphenyl)-5-(4-pyridyl)-1H-imidazol LS-186976 MLS006010840 4-{4-(4-fluorophenyl)-2-[4-(methylsulfinyl)phenyl]-1H-imidazol-5-yl}pyridine NCGC00381704-12 AK-51369 Pyridine, 4-[5-(4-fluorophenyl)-2-[4-(methylsulfinyl)phenyl]-1H-imidazol-yl]- BCPP000074 RWJ-64809, (S)- BIRB-203580, (S)- SB-203580 cc-50 SCHEMBL95208 CS-0140 Tocris-1202 FT-0674525 ZX-AFC000489 HMS3244J15 J-513573 4-(4-Fluorophenyl)-2-[4-(methylsulfinyl)phenyl]-5- 4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-1H-imidazol-5-yl]pyridine NCGC00025035-01 896734-47-7 PB-203580, (S)- AM81234 RS0055 BDBM50045333 S-7702 BRD-A37704979-003-01-2 SB16633 CF-031 SR-01000597367-1 D0F8DL UNII-2Z5A7553WW HMS1792H05 HMS3654M15 4-(4-(4-Fluorophenyl)-2-(4-(methylsulfinyl)-phenyl)-1H-imidazol-5-yl)pyridine Kinome_2521 LS-187618 4-[5-(4-Fluorophenyl)-2-(4-methylsulfinylphenyl)-3H-imidazol-4-yl]pyridine NCGC00025035-04 ABP000230 Pyridine, 4-(5-(4-fluorophenyl)-2-(4-(methylsulfinyl)phenyl)-1H-imidazol-4-yl)- AX8150875 RWJ 64809, PB 203580, 152121-47-6 Bio1_001234 SB 203580 & Z-100 C21H16FN3OS SB203580/SB-203580 CHEMBL10 TC-063053 ES-0013 WS78QR6DSV HMS3244I15 121S476 InSolution™ SB 203580 4-(4-Fluorophenyl)-2-(4-methylsulfinylphenyl)-5-(4-pyridyl)-1H-imidazole MolPort-000-006-291 4CA-1136 PB 203580 AKOS005145971 Pyridine, 4-[5-(4-fluorophenyl)-2-[4-(methylsulfinyl)phenyl]-1H-imidazol-yl]- & Z-100 BDBM13336 RWJ-64809; BIS0733 SB-203580, (R)- CCG-206878 SMR004701767 CTK7C0221 Tocris-1402 GK9716 HMS3267B07 1pme K00038 4-(4-Fluorophenyl)-2-[4-(methylsulfinyl)phenyl]-5-(4-pyridyl)-1H-imidazole 4-[4-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine NCGC00025035-02 A15256 Pyridine, 4-(4-(4-fluorophenyl)-2-(5-((R)-methylsulfinyl)phenyl)-1H-imidazol-4-yl)- ANW-72176 RTC-063053 Bio1_000256 s1076 BS0218 SB203580 CHEBI:90705 SW218141-2 DB-026130 UNII-WS78QR6DSV HMS1990H05 HY-10256 4-(4-(4-fluorophenyl)-2-(4-(methylsulfinyl)phenyl)-1H-imidazol-5-yl)pyridine KS-000018EO MFCD00922198 4-{4-(4-fluorophenyl)-2-[4-(methanesulfinyl)phenyl]-1H-imidazol-5-yl}pyridine NCGC00025035-05 AC1L41YG Pyridine, 4-[4-(4-fluorophenyl)-2-[4-(methylsulfinyl)phenyl]-1H-imidazol-5-yl]- BCP01763 RWJ-64809, (R)- BIRB-203580, (R)- SB 203580, solid, >=98% (HPLC) CBiol_001970 SC-27890 cid_176155 TC-160921 EX-A134 X7403 HMS3244I16 J-008891 4-(4-Fluorophenyl)-2-(4-methylsulfinylphenyl)-5-(4-pyridyl)1H-imidazole 4-(5-(4-fluorophenyl)-2-(4-(methylsulfinyl)phenyl)-1H-imidazol-4-yl)pyridine MolPort-020-313-396 652162-77-1 PB-203580, (R)- AKOS015994568 QC-11773 BDBM192501 RWJ-64809\|\|\|PB-203580\|\|\|4-[4-(4-Fluorophenyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine BRD-A37704979-001-02-4 SB-203580, (S)- CDMGBJANTYXAIV-UHFFFAOYSA-N SR-01000597367 CTK8E9223 TRA0064819 GTPL5269 HMS3403H05 2Z5A7553WW KB-34197 [ Show all ]
Inchi Key	CDMGBJANTYXAIV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
PubChem CID	176155
ChEMBL	CHEMBL10
IUPHAR	N/A
BindingDB	13336
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	10666.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	2569.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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