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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	terguride
Molecular formula	C20H28N4O
IUPAC name	3-[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
Molecular weight	340.471
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	2.5
Synonyms	Teluron Terguridum 1,1-Diethyl-3-(6-methylergolin-8alpha-yl)urea VUFB-6638 AC1L9FGP CHEBI:32193 DSSTox_RID_81146 JOAHPSVPXZTVEP-YXJHDRRASA-N NCGC00179409-02 s(+)-N,N-Diethyl-n([8alpha]-6-methylergolin-8-yl)urea Tergurida trans-Dihydro Lisuride 21OJT43Q88 ZK-31224 85649-11-2 BDBM50017519 D01348 FT-0667042 N,N-Dethyl-n'-[(8alpha)-6-methylergoln-8-yl]urea Prestwick1_000945 SCHEMBL147259 Terguride (JAN/INN) (5R,8S,10R)-Terguride UNII-21OJT43Q88 37686-85-4 (maleate[1:1]) 9,10\|A-Dihydrolisuride BSPBio_000834 DSSTox_CID_25809 HMS2232H10 N,N-Diethyl-N'-[(8\|A)-6-methylergolin-8-yl]urea S(+)-N,N-Diethyl-N inverted exclamation marka([8\|A]-6-methylergolin-8-yl)urea SPBio_003069 Teluron (TN) Terguridum [Latin] 1,1-Diethyl-3-(7-methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinolin-9-yl)-urea ZINC3811327 6-Methyl-8alpha-(diethylcarbamoylamino)ergoline AJ-45674 DTXSID3045809 KS-1464 Opera_ID_1172 S(+)-Terguride Tergurida [Spanish] (+)-(5R,8S,10R)-Terguride trans-Dihydrolisuride 3-[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]-1,1-diethylurea 8alpha-(3,3-diethylureido)-6-methylergoline BPBio1_000918 D01ZOB GTPL56 N,N-Diethyl-N'-(D-6-methyl-10alpha-isoergolin-8-yl)urea Prestwick2_000945 SH-406 TDHL Terguride [INN] 1,1-diethyl-3-(6-methyl-8alpha-ergolinyl)urea Urea, N,N-diethyl-N'-((8-alpha)-6-methylergolin-8-yl)- AB00514698 CAS-37686-84-3 DSSTox_GSID_45809 J-523241 NCGC00094476-03 S(+)-N,N-Diethyl-N'([8alpha]-6-methylergolin-8-yl)urea Tergurid Tox21_111283 1-((5R,8S,10R)-6-Methyl-8-ergolinyl)-3,3-diethylurea ZK 31224 6-Methyl-8\|A-(diethylcarbamoylamino)ergoline API0004355 CHEMBL73151 EINECS 253-624-2 MLS000069833 Prestwick0_000945 S(+)-Terguride (5R, 8S, 10R) (+)-Terguride Transdihydrolisuride 37686-84-3 9,10-alpha-Dihydrolisuride BRN 0766582 Dironyl HMS1570N12 N,N-Diethyl-N'-(D-6-methyl-10\|A-isoergolin-8-yl)urea Prestwick3_000927 SMR000058934 [ Show all ]
Inchi Key	JOAHPSVPXZTVEP-YXJHDRRASA-N
Inchi ID	InChI=1S/C20H28N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,11,14,16,18,21H,4-5,9-10,12H2,1-3H3,(H,22,25)/t14-,16+,18+/m0/s1
PubChem CID	443951
ChEMBL	CHEMBL73151
IUPHAR	56
BindingDB	50017519
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	4.79 nM	PMID12388666	BindingDB
Ki	5.01187 nM	PMID12388666	IUPHAR

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