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GLASS

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GPCR

Name	5-hydroxytryptamine receptor 1B
Species	Homo sapiens (Human)
Gene	HTR1B
Synonym	5-HT1B receptor 5-HT-1B 5-HT-1D-beta 5-HT1B Serotonin 1D beta receptor HTR1D2 5-HT1B serotonin receptor 5-HT1DB 5-HT1Dbeta 5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled serotonin receptor 1B S12 [ Show all ]
Disease	Chronic schizophrenics Major depressive disorder Migraine headaches Mood disorder Psychotic disorders Anxiety disorder [ Show all ]
Length	390
Amino acid sequence	MEEPGAQCAPPPPAGSETWVPQANLSSAPSQNCSAKDYIYQDSISLPWKVLLVMLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISISLPPFFWRQAKAEEEVSECVVNTDHILYTVYSTVGAFYFPTLLLIALYGRIYVEARSRILKQTPNRTGKRLTRAQLITDSPGSTSSVTSINSRVPDVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHLAIFDFFTWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTS
UniProt	P28222
Protein Data Bank	4iar, 6g79, 5v54
GPCR-HGmod model	P28222
3D structure model	This structure is from PDB ID 4iar.
BioLiP	BL0239857, BL0403524,BL0403525, BL0417722
Therapeutic Target Database	T07806
ChEMBL	CHEMBL1898
IUPHAR	2
DrugBank	BE0000797

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	SBI-0052740.P002 AKOS005555049 Spectrum3_000989 BRD-A51714012-003-01-1 STK621394 venlafaxine (Effexor) D08670 Venlafexine DTXSID6023737 HMS2090F04 KBio2_004719 MolPort-003-666-534 1-[2-dimethylamino-1-(4-methoxylphenyl)ethyl]cyclohexanol NCGC00095109-05 AB00053751-10 SMR002204138 AT-6375 Spectrum_001671 CAS-93413-69-5 Venflaxine EP CTK8F8921 Venlafaxine [BAN:INN] DivK1c_006938 Efectin (TN) HSDB 6699 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 AC1L1KU8 SPECTRUM1504171 BDBM82071 SR-01000762930-4 CCG-39577 Venlafaxina [INN-Spanish] Cyclohexanol, 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]- Venlafaxinum DSSTox_GSID_23737 GTPL7321 KBio1_001882 MCULE-6632261838 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol NCGC00095109-03 99300-78-4 (hydrochloride) Pharmakon1600-01504171 SC-25322 AN-14846 Spectrum4_001115 BSPBio_002657 Tox21_111425 CHEMBL637 Venlafaxine (INN) D0P1UX Wy 45030 EC 618-944-2 HMS2093A12 KBio2_007287 N,N,O-Didesmethylvenlafaxine 1-[2-dimethylamino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol NCGC00095109-06 AB00053751-11 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 KBioSS_002151 NCGC00095109-01 NSC758676 AK116310 Spectrum2_000542 BRD-A51714012-001-02-3 ST24037045 CHEBI:9943 D,L-Venlafaxine Venlafaxinum [INN-Latin] DSSTox_RID_77175 HMS1922F05 KBio2_002151 MLS006011859 1-[2-(Dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol NCGC00095109-04 AB00053751-08 PNVNVHUZROJLTJ-UHFFFAOYSA-N SCHEMBL35154 API0004581 Spectrum5_001516 C07187 Tox21_111425_1 CS-2129 Venlafaxine ER DB00285 WY-45655 Efectin HMS3714K11 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 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 LS-57095 1-(2-(dimethylamino)-1-(4-methoxyphenyl)ethyl)cyclohexanol NCGC00095109-02 93413-69-5 NSC_62923 [ 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	PMID11454918, PMID11750180	PDSP,BindingDB

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