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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	terconazole
Molecular formula	C26H31Cl2N5O3
IUPAC name	1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-propan-2-ylpiperazine
Molecular weight	532.466
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	4.8
Synonyms	BRD-K86204871-001-13-9 CHEMBL1306 DSSTox_RID_80917 HY-B1790 MolPort-006-133-612 Piperazine, 1-(4-(((2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-4-(1-methylethyl)-, rel- SMR001233206 Terazol Cream & Suppositories 1-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl]methoxy}phenyl)-4-(propan-2-yl)piperazine Tercospor AK135621 AX8152619 C26H31Cl2N5O3 CT0256 Fungistat KM1155 NSC 331942 R 42,470 Terazol 67915-31-5 UNII-0KJ2VE664U component BLSQLHNBWJLIBQ-OZXSUGGESA-N BPBio1_000429 CHEBI:82980 DSSTox_CID_25498 HMS2233C22 LS-176634 Panlomyc rel-(2S,4S)-Terconazole Terazol 7 1-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-(propan-2-yl)piperazine Terconazolum AB00513849_07 AKOS016846147 BSPBio_000389 cis-1-(p-((2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-4-isopropylpiperazine DTXSID2045498 J-008500 NCGC00016912-01 Piperazine, 1-(4-((2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-4-(1-methylethyl)-, cis- SR-01000841196 Terconazol 1-[4-[[(2R)-2alpha-(2,4-Dichlorophenyl)-2beta-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4beta-yl]methoxy]phenyl]-4-(1-methylethyl)piperazine Tox21_110679 BDBM50375318 CAS-67915-31-5 D00888 Gyno-Terazol KS-00000H43 NSC-760361 R 42470 Terazol 3 (2R,4S)-terconazole Terconazole (USAN/INN) 915T315 Zazole BRD-K86204871-001-02-2 DSSTox_GSID_45498 HMS3713D11 MLS002153844 Pharmakon1600-01503847 SCHEMBL23165 Terazol 7 & 3 1-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine Terconazolum [INN-Latin] AC1L9B2M AS-14153 C08080 CS-6456 EINECS 267-751-6 KB-217439 NCGC00179575-01 Prestwick3_000495 SR-01000841196-2 Terconazol [INN-Spanish] 1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-propan-2-ylpiperazine Triaconazole ZINC3873936 BIDD:GT0705 CCG-213216 DB00251 HMS2096D11 KS-1463 NSC760361 R-42470 Terazol 3 (TN) 1-(4-((2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-4-(1-methylethyl)piperazine Terconazole [USAN:INN:BAN] AB00513849 [ Show all ]
Inchi Key	BLSQLHNBWJLIBQ-OZXSUGGESA-N
Inchi ID	InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3/t23-,26-/m0/s1
PubChem CID	441383
ChEMBL	CHEMBL1306
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	5709.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	1375.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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