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GPCR

Name	5-hydroxytryptamine receptor 2B
Species	Homo sapiens (Human)
Gene	HTR2B
Synonym	stomach fundus serotonin receptor serotonin receptor 2B 5-HT2F 5-HT-2B 5-HT2B 5-HT2B receptor 5-hydroxytryptamine (serotonin) receptor 2B, G protein-coupled [ Show all ]
Disease	Psychoses Migraine Irritable bowel syndrome Depression; Cerebral infarction Coronary heart disease Congestive heart failure Pulmonary arterial hypertension [ Show all ]
Length	481
Amino acid sequence	MALSYRVSELQSTIPEHILQSTFVHVISSNWSGLQTESIPEEMKQIVEEQGNKLHWAALLILMVIIPTIGGNTLVILAVSLEKKLQYATNYFLMSLAVADLLVGLFVMPIALLTIMFEAMWPLPLVLCPAWLFLDVLFSTASIMHLCAISVDRYIAIKKPIQANQYNSRATAFIKITVVWLISIGIAIPVPIKGIETDVDNPNNITCVLTKERFGDFMLFGSLAAFFTPLAIMIVTYFLTIHALQKKAYLVKNKPPQRLTWLTVSTVFQRDETPCSSPEKVAMLDGSRKDKALPNSGDETLMRRTSTIGKKSVQTISNEQRASKVLGIVFFLFLLMWCPFFITNITLVLCDSCNQTTLQMLLEIFVWIGYVSSGVNPLVYTLFNKTFRDAFGRYITCNYRATKSVKTLRKRSSKIYFRNPMAENSKFFKKHGIRNGINPAMYQSPMRLRSSTIQSSSIILLDTLLLTENEGDKTEEQVSYV
UniProt	P41595
Protein Data Bank	5tud, 5tvn, 6drx, 4ib4, 4nc3, 6dry, 6drz, 6ds0
GPCR-HGmod model	P41595
3D structure model	This structure is from PDB ID 5tud.
BioLiP	BL0425280, BL0425283, BL0425282, BL0239858, BL0239859, BL0265182, BL0265183, BL0368464, BL0425281, BL0385686,BL0385687, BL0425284, BL0425285, BL0425286, BL0368465, BL0425287
Therapeutic Target Database	T31204
ChEMBL	CHEMBL1833
IUPHAR	7
DrugBank	BE0000393

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
Ki	125.893 nM	PMID12388666	IUPHAR
Ki	131.83 nM	PMID12388666	BindingDB

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