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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	apomorphine
Molecular formula	C17H17NO2
IUPAC name	(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
Molecular weight	267.328
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	2.3
Synonyms	cid_6852399 DTXSID8022614 L-Apomorphine (-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol(APO) NCGC00025349-05 (R)-(-)-Apomorphine Q-200645 UNII-N21FAR7B4S 6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol ((R)-apomorphine) Apomorphin APOMORPHINE6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol BRD-K76022557-001-01-3 C17H17NO2 GTPL33 N21FAR7B4S (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol;hydrate;hydrochloride PDSP2_001488 (R)-6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol ((R)-apomorphine) SMP1_000027 41372-20-7 (hydrochloride hemihydrate) VMWNQDUVQKEIOC-CYBMUJFWSA-N 6abeta-Aporphine-10,11-diol Apomorphine (intranasal, Parkinson's disease) BDBM29644 DSSTox_GSID_22614 IV Apomorphine (-)-10,11-Dihydroxyaporphine NCGC00025349-03 (Apomorphine) 6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol Prestwick2_000101 Tox21_110967 VR004 Apokyn Apomorphine hydrochloride hemihydrate BPBio1_000092 BRD-K76022557-311-20-6 D07460 EINECS 200-360-0 LS-21474 (6aR)-5,6,6a,7-Tetrahydro-6-methyl-4H-dibenzo(de,g)chinolin-10,11-diol NH001 (R)-5,6,6A,7-TETRAHYDRO-6-METHYL-4H-DIBENZO[DE-G]QUINOLINE-10,11-DIOL R-(-)-Apomorphine 372A207 Uprima 6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol((R)-apomorphine) Apomorphinium chloride hemihydrate CAS-58-00-4 DB00714 HMS2089C10 NCGC00025349-01 (9R)-10-methyl-10-azatetracyclo[7.7.1.0;{2,7}.0;{13,17}]heptadeca-1(16),2(7),3,5,13(17),14-hexaene-3,4-diol Prestwick0_000101 (R)-6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol (apomorphine) SPBio_002021 4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, (R)- VR-040 8233AH Apomorphine (R,-) BDBM50001955 CHEMBL53 DSSTox_RID_76660 Ixense (-)-Apomorphine NCGC00025349-04 (apomorphine)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol Prestwick3_000101 314-19-2 (hydrochloride anhydrous) Tox21_110967_1 58-00-4 ZINC9073 Apomorfin Apomorphine [BAN] BPBio1_001179 BSPBio_000082 D0H6QU FT-0602881 MCULE-3200317958 (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol PDSP1_000780 (R)-6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol SCHEMBL8541 41372-20-7 Uprima (TN) 6a-beta-Aporphine-10,11-diol Apomorphine (BAN) Apormorphine CHEBI:48538 DSSTox_CID_2614 HSDB 3289 NCGC00025349-02 (9R)-10-methyl-10-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2,4,6,13,15-hexaene-3,4-diol Prestwick1_000101 (R)-6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol(apomorphine) Tocris-2073 4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, (R)- (9CI) VR-400 AC1L1LLC Apomorphine hydrochloride Biomol-NT_000019 [ Show all ]
Inchi Key	VMWNQDUVQKEIOC-CYBMUJFWSA-N
Inchi ID	InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
PubChem CID	6005
ChEMBL	CHEMBL53
IUPHAR	33
BindingDB	29644, 50001955
DrugBank	DB00714
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
Activity	<75.0 %	None	ChEMBL
Ki	120.23 nM	PMID12388666	BindingDB
Ki	125.893 nM	PMID12388666	IUPHAR

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