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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	venlafaxine
Molecular formula	C17H27NO2
IUPAC name	1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
Molecular weight	277.408
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.9
Synonyms	KBio2_002151 MLS006011859 1-[2-(Dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol NCGC00095109-04 AB00053751-08 PNVNVHUZROJLTJ-UHFFFAOYSA-N AK116310 Spectrum2_000542 BRD-A51714012-001-02-3 ST24037045 CHEBI:9943 D,L-Venlafaxine Venlafaxinum [INN-Latin] DSSTox_RID_77175 HMS1922F05 KBio3_001877 N,N-dimethyl-2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethylamine 1-{2-(dimethylamino)-1-[4-(methyloxy)phenyl]ethyl}cyclohexanol NCGC00095109-08 AB00053751_12 SCHEMBL35154 API0004581 Spectrum5_001516 C07187 Tox21_111425_1 CS-2129 Venlafaxine ER DB00285 WY-45655 Efectin HMS3714K11 LS-57095 1-(2-(dimethylamino)-1-(4-methoxyphenyl)ethyl)cyclohexanol NCGC00095109-02 93413-69-5 NSC_62923 AC-1547 SpecPlus_000842 BC209117 SR-01000762930-3 CAS_99300-78-4 Venlafaxina Cyclohexanol, 1-(2-(dimethylamino)-1-(4-methoxyphenyl)ethyl)-, hydrochloride VenlafaxineXR DSSTox_CID_3737 FT-0642242 K700 KBio2_004719 MolPort-003-666-534 1-[2-dimethylamino-1-(4-methoxylphenyl)ethyl]cyclohexanol NCGC00095109-05 AB00053751-10 SBI-0052740.P002 AKOS005555049 Spectrum3_000989 BRD-A51714012-003-01-1 STK621394 venlafaxine (Effexor) D08670 Venlafexine DTXSID6023737 HMS2090F04 KBioGR_001590 (RS)-1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol N,N-dimethyl-2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethylamine; 1-[2-dimethylamino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol; 1-[(1R)-2-(Dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol 413V695 NSC-758676 AB00053751_13 SMR002204138 AT-6375 Spectrum_001671 CAS-93413-69-5 Venflaxine EP CTK8F8921 Venlafaxine [BAN:INN] DivK1c_006938 Efectin (TN) HSDB 6699 KBio1_001882 MCULE-6632261838 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol NCGC00095109-03 99300-78-4 (hydrochloride) Pharmakon1600-01504171 AC1L1KU8 SPECTRUM1504171 BDBM82071 SR-01000762930-4 CCG-39577 Venlafaxina [INN-Spanish] Cyclohexanol, 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]- Venlafaxinum DSSTox_GSID_23737 GTPL7321 KBio2_007287 N,N,O-Didesmethylvenlafaxine 1-[2-dimethylamino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol NCGC00095109-06 AB00053751-11 SC-25322 AN-14846 Spectrum4_001115 BSPBio_002657 Tox21_111425 CHEMBL637 Venlafaxine (INN) D0P1UX Wy 45030 EC 618-944-2 HMS2093A12 KBioSS_002151 NCGC00095109-01 NSC758676 AB1004809 SPBio_000583 AX8023170 SR-01000762930 CAS_93413-69-5 Venlafaxin Cyclohexanol, 1-(2-(dimethylamino)-1-(4-methoxyphenyl)ethyl)-, (+-)- Venlafaxine [INN:BAN] DL-Venlafaxine Elafax HY-B0196 [ Show all ]
Inchi Key	PNVNVHUZROJLTJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
PubChem CID	5656
ChEMBL	CHEMBL637
IUPHAR	N/A
BindingDB	82071
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	<10000.0 nM	PMID11750180	PDSP,BindingDB

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