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GLASS

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

Name	5-hydroxytryptamine receptor 2A
Species	Homo sapiens (Human)
Gene	HTR2A
Synonym	5-HT-2 serotonin receptor 2A serotonin 5HT-2 receptor 5-HT-2A 5-HT2A receptor 5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled 5Ht-2 'D' receptor [ Show all ]
Disease	Depression Unspecified Diabetes Erythropoietic porphyria Fibromyalgia Sleep disorders Schizophrenia Psychiatric disorder Pancreatitis Mood disorder Migraine Hemorrhoids Glaucoma Central nervous system disease Cardiovascular disorder Addiction Schizophrenia; Sleep maintenance insomnia Alcohol use disorders Anxiety disorder [ Show all ]
Length	471
Amino acid sequence	MDILCEENTSLSSTTNSLMQLNDDTRLYSNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPSCLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVSFFIPLTIMVITYFLTIKSLQKEATLCVSDLGTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYTGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNEDVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPLQLILVNTIPALAYKSSQLQMGQKKNSKQDAKTTDNDCSMVALGKQHSEEASKDNSDGVNEKVSCV
UniProt	P28223
Protein Data Bank	6a93, 6a94
GPCR-HGmod model	P28223
3D structure model	This structure is from PDB ID 6a93.
BioLiP	BL0441025,BL0441028, BL0441031, BL0441030,BL0441033, BL0441029,BL0441032, BL0441026, BL0441024,BL0441027
Therapeutic Target Database	T32060
ChEMBL	CHEMBL224
IUPHAR	6
DrugBank	BE0000451

Ligand

Name	Phentolamine mesylate
Molecular formula	C18H23N3O4S
IUPAC name	3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol;methanesulfonic acid
Molecular weight	377.459
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	None
Synonyms	HMS2233A24 KS-00000XQY MLS001076484 OraVerse Phentolamine mesilate for system suitability, European Pharmacopoeia (EP) Reference Standard 2-[N-(m-Hydroxyphenyl)-p-toluidinomethyl]imidazoline Methanesulfonate Phentolamine Mesylate, Pharmaceutical Secondary Standard; Certified Reference Material 3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol;methanesulfonic acid Regitin methanesulphonate A835046 SR-01000000055 BC200362 VZ33629 CPD000059054 D00509 HMS3655B13 LS-104726 NCGC00016195-02 Phenol, 3-(((4,5-dihydro-1H-imidazol-2-yl)methyl)(4-methylphenyl)amino)-, monomethanesulfonate (salt) Phentolamine mesilate, European Pharmacopoeia (EP) Reference Standard 3-[(2-imidazolin-2-ylmethyl)(4-methylphenyl)amino]phenol, methanesulfonic acid Phentolamine methanesulfonate salt 3-[[(4,5-Dihydro-1H-imidazol-2-yl)methyl](4-methylphenyl)amino]phenol methanesulfonate Regitine methanesulfonate AC-7472 SW196637-3 C18H23N3O4S Z-Max EU-0100982 J10339 MFCD00134201 NV-101 phentolamine mesilate Phentolamine mesylate (USP) 3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-anilino]phenol; methanesulfonic acid REGID_for_CID_91430 65-28-1 SCHEMBL40852 AN-8957 Vasofem CS-2419 HMS3263E05 Lopac-P-7561 MolPort-003-959-154 P 7561 Phentolamine mesilate [INN:BAN] 2-[N-(m-Hydroxyphenyl)-p-toluidinomethyl]imidazoline, methanesulfonate Phentolamine mesylate, United States Pharmacopeia (USP) Reference Standard 3-[[(4,5-Dihydro-1H-imidazol-2- yl)methyl](4-methylphenyl)-amino]phenol mesylate Regitine (TN) AB0014005 SR-01000000055-3 BCP09845 W-104799 DTXSID60215315 HY-B0362A m-(N-(2-Imidazolin-2-ylmethyl)-p-toluidino)phenol monomethanesulfonate (salt) NCGC00094282-01 Phenol, m-(N-(2-imidazolin-2-ylmethyl)-p-toluidino)-, monomethanesulfonate (salt) Phentolamine Meslate,(S) 3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphenyl)amino]phenol; methanesulfonic acid Phentolamine methanesulfonate salt, >=98% (TLC), powder 4CA-1013 s2038 AC1L3M27 Tox21_500982 CCG-222286 FT-0603267 K062 MLS000069487 Opera_ID_1599 Phentolamine mesilate (JAN/INN) 134P201 Phentolamine mesylate [USP] 3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol; methanesulfonic acid Regitin mesylate A828197 SMR000059054 AS-13800 Vasomax CHEMBL1200873 CTK8G2357 HMS3373D03 LP00982 NCGC00016195-01 P1985 Phentolamine mesilate, British Pharmacopoeia (BP) Reference Standard 3-(((4,5-dihydro-1H-imidazol-2-yl)methyl)(p-tolyl)amino)phenol methanesulfonate Phentolamine methanesulfonate 3-[[(4,5-Dihydro-1H-imidazol-2-yl)methyl](4-methylphenyl)-amino]phenol mesylate Regitine mesylate AB2000443 ST057364 C17H19N3O.CH4O3S Y7543E5K9T EINECS 200-604-6 I14-0396 MCULE-3770473461 NCGC00261667-01 Phentolamine (mesylate) 3-[N-(2-Imidazolin-2-ylmethyl)-p-toluidino]phenol methanesulphonate Phentolamine methanesulphonate 50-60-2 (Parent) SAM002703130 AKOS007930193 UNII-Y7543E5K9T CCRIS 9022 [ Show all ]
Inchi Key	OGIYDFVHFQEFKQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H19N3O.CH4O3S/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15;1-5(2,3)4/h2-8,11,21H,9-10,12H2,1H3,(H,18,19);1H3,(H,2,3,4)
PubChem CID	91430
ChEMBL	CHEMBL1200873
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
Ki	935.9 nM	Elliot & Kent, PMID1989	PDSP
Ki	6460.0 nM	Hoyer et al., PMID1987	PDSP

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