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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Muscarinic acetylcholine receptor M5
Species	Homo sapiens (Human)
Gene	CHRM5
Synonym	M5R M5 receptor cholinergic receptor cholinergic receptor, muscarinic 5
Disease	Urinary incontinence Colitis Dysmenorrhea Irritable bowel syndrome Myasthenia gravis Neurological disease Schizophrenia Stomach ulcer Cognitive disorders Chronic obstructive pulmonary disease Allergic rhinitis Central and peripheral nervous diseases Brain diseases Amnesia [ Show all ]
Length	532
Amino acid sequence	MEGDSYHNATTVNGTPVNHQPLERHRLWEVITIAAVTAVVSLITIVGNVLVMISFKVNSQLKTVNNYYLLSLACADLIIGIFSMNLYTTYILMGRWALGSLACDLWLALDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTPKRAGIMIGLAWLISFILWAPAILCWQYLVGKRTVPLDECQIQFLSEPTITFGTAIAAFYIPVSVMTILYCRIYRETEKRTKDLADLQGSDSVTKAEKRKPAHRALFRSCLRCPRPTLAQRERNQASWSSSRRSTSTTGKPSQATGPSANWAKAEQLTTCSSYPSSEDEDKPATDPVLQVVYKSQGKESPGEEFSAEETEETFVKAETEKSDYDTPNYLLSPAAAHRPKSQKCVAYKFRLVVKADGNQETNNGCHKVKIMPCPFPVAKEPSTKGLNPNPSHQMTKRKRVVLVKERKAAQTLSAILLAFIITWTPYNIMVLVSTFCDKCVPVTLWHLGYWLCYVNSTVNPICYALCNRTFRKTFKMLLLCRWKKKKVEEKLYWQGNSKLP
UniProt	P08912
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T79961
ChEMBL	CHEMBL2035
IUPHAR	17
DrugBank	BE0000247, BE0004890

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	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 BRD-K86204871-001-02-2 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 AS-14153 C08080 CS-6456 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 ZINC3873936 BIDD:GT0705 CCG-213216 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 BRD-K86204871-001-13-9 CHEMBL1306 Fungistat KM1155 NSC 331942 R 42,470 Terazol 67915-31-5 UNII-0KJ2VE664U component BLSQLHNBWJLIBQ-OZXSUGGESA-N AX8152619 C26H31Cl2N5O3 CT0256 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 BPBio1_000429 CHEBI:82980 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 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 Gyno-Terazol KS-00000H43 NSC-760361 R 42470 Terazol 3 (2R,4S)-terconazole Terconazole (USAN/INN) 915T315 Zazole BDBM50375318 CAS-67915-31-5 D00888 [ 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	4362.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	3134.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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