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GLASS

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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	Spiramide
Molecular formula	C22H26FN3O2
IUPAC name	8-[3-(4-fluorophenoxy)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Molecular weight	383.467
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.4
Synonyms	AKOS024458544 BPBio1_001087 CTK8F7702 FJUKDAZEABGEIH-UHFFFAOYSA-N NCGC00024633-04 Tox21_110914_1 8-(3-(4-Fluorophenoxy)propyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one B6335 CAS-510-74-7 DSSTox_GSID_42579 L023992 NCGC00024633-07 Spiramidum [INN-Latin] 1,3,8-Triazaspiro[4.5]decan-4-one, 8-[3-(p-fluorophenoxy)propyl]-1-phenyl- 8-[3-(4-fluorophenoxy)propyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one Biomol-NT_000087 Espiramida NCGC00024633-02 R-5808 Tocris-0524 471LF4O004 AC1Q4ONW AMI-193 BPBio1_001259 D0V5SQ Fluroxyspiramine NCGC00024633-05 Spiramide [INN] UNII-471LF4O004 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(3-(4-fluorophenoxy)propyl)-1-phenyl- 8-[3-(4-Fluorophenoxy)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]-decanone BDBM86525 CAS_77445 DSSTox_RID_80051 MolPort-003-983-510 NSC_77445 SR-01000597677 ACM510747 BN0070 CHEMBL79834 Espiramida [INN-Spanish] NCGC00024633-03 SCHEMBL2110721 Tox21_110914 510-74-7 API0006556 BRD-K94512704-001-02-1 DSSTox_CID_22579 GTPL175 NCGC00024633-06 Spiramidum ZINC1846593 1,3,8-Triazaspiro[4.5]decan-4-one, 8-[3-(4-fluorophenoxy)propyl]-1-phenyl- 8-[3-(4-Fluorophenoxy)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one Biomol-NT_000039 CHEBI:64207 DTXSID6042579 NCGC00024633-01 R 5808 SR-01000597677-1 3824-91-7 (mono-hydrochloride salt) AC1L2981 [ Show all ]
Inchi Key	FJUKDAZEABGEIH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)
PubChem CID	68186
ChEMBL	CHEMBL79834
IUPHAR	175
BindingDB	86525
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	0.3162 nM	PMID11078195	ChEMBL
IC50	0.316228 nM	PMID11078195	BindingDB
Ki	22.39 nM	PMID15322733	BindingDB
Ki	25.1189 nM	PMID15322733	IUPHAR

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