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GPCR

Name	5-hydroxytryptamine receptor 6
Species	Homo sapiens (Human)
Gene	HTR6
Synonym	5-HT6 receptor 5-hydroxytryptamine (serotonin) receptor 6, G protein-coupled 5-HT-6 serotonin receptor 6 ST-B17 5-HT6 [ Show all ]
Disease	Schizophrenia Obesity Neurological disease Neurodegenerative disease Emesis Cognitive disorders Unspecified Anxiety disorder Alzheimer disease; Dementia Alzheimer disease; Anxiety disorder Alzheimer disease [ Show all ]
Length	440
Amino acid sequence	MVPEPGPTANSTPAWGAGPPSAPGGSGWVAAALCVVIALTAAANSLLIALICTQPALRNTSNFFLVSLFTSDLMVGLVVMPPAMLNALYGRWVLARGLCLLWTAFDVMCCSASILNLCLISLDRYLLILSPLRYKLRMTPLRALALVLGAWSLAALASFLPLLLGWHELGHARPPVPGQCRLLASLPFVLVASGLTFFLPSGAICFTYCRILLAARKQAVQVASLTTGMASQASETLQVPRTPRPGVESADSRRLATKHSRKALKASLTLGILLGMFFVTWLPFFVANIVQAVCDCISPGLFDVLTWLGYCNSTMNPIIYPLFMRDFKRALGRFLPCPRCPRERQASLASPSLRTSHSGPRPGLSLQQVLPLPLPPDSDSDSDAGSGGSSGLRLTAQLLLPGEATQDPPLPTRAAAAVNFFNIDPAEPELRPHPLGIPTN
UniProt	P50406
Protein Data Bank	N/A
GPCR-HGmod model	P50406
3D structure model	This predicted structure model is from GPCR-EXP P50406.
BioLiP	N/A
Therapeutic Target Database	T16691
ChEMBL	CHEMBL3371
IUPHAR	11
DrugBank	BE0000945

Ligand

Name	rofecoxib
Molecular formula	C17H14O4S
IUPAC name	3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one
Molecular weight	314.355
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	2.3
Synonyms	RZJQGNCSTQAWON-UHFFFAOYSA-N SPBio_000492 SR-01000762904 UNII-0QTW8Z7MCR ZINC7455 MCULE-4806636118 AC-28318 MK-0966 BDBM22369 MLS006010091 CAS-162011-90-7 NCGC00095118-04 cMAP_000024 Pharmakon1600-01504235 DSSTox_GSID_23567 Rofecoxib [USAN:INN:BAN] HMS1922H11 HMS3713B07 KBio2_000559 4-(4-(Methylsulfonyl)phenyl)-3-phenyl-2(5H)-furanone KBioGR_001242 544684-93-7 SB19518 Spectrum2_000446 ST2410970 Vioxx (TN) Merck Sharp & Dhome brand of rofecoxib AKOS000280931 MK966 BRD-K21733600-001-06-7 MSD brand of rofecoxib Ceeoxx (TN) NCI60_041175 D00568 R0206 EBD34785 HMS2093E04 162011-90-7 I01-1042 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one KBio2_004913 4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofuran-2-one KBioSS_002348 AB00052090-08 SCHEMBL3050 Spectrum5_001598 Tox21_111430 Vioxx; 4-[4-(Methylsulfonyl)phenyl]-3-phenylfuran-2(5H)-one AB0012045 MK 966 AOB6956 MLS001195623 C17H14O4S NCGC00095118-02 CHEBI:8887 NSC720256 DivK1c_006765 Rofecoxib (JAN/USAN/INN) FT-0631192 HMS3393G16 2(5H)-Furanone, 4-[4-(methyl-sulfonyl)phenyl]-3-phenyl- K-5064 3-Phenyl-4-(4-(Methylsulfonyl)Phenyl)-2-(5H)-Furanone KBio3_002205 4-[4-(methylsulfonyl)phenyl]-3-phenyl-2(5H)-furanone L000912 s3043 SpecPlus_000669 SR-01000762904-3 VA11689 Merck brand of rofecoxib AC1L1JL6 MK-966 BIDD:GT0399 MolPort-000-883-878 CCG-40253 NCGC00095118-05 CPD000466331 PubChem15028 DSSTox_RID_77084 rofecoxibum HMS2051G16 011R907 HSDB 7262 3-(4-methanesulfonyl-phenyl)-2-phenyl-2-buten-4-olide KBio2_002345 4-(4-(Methylsulfonyl)phenyl)-3-phenylfuran-2(5H)-one KBioGR_002345 A810324 SBI-0206774.P001 Spectrum3_001153 STK635144 Vioxx (trademark) AB00052090_09 MK 0966 AN-25306 MLS000759440 BSPBio_002705 NC00132 Ceoxx NSC-720256 D05VLS refecoxib EX-A708 HMS2232G21 186912-82-3 J10420 3-(Phenyl)-4-(4-(methylsulfonyl)phenyl)-2-(5H)-furanone KBio2_005695 4-(4-methylsulfonylphenyl)-3-phenyl-5H-furan-2-one KS-00000XKS SMR000466331 Spectrum_000119 TRM-201 ZB000656 AB07701 MK 996 BCP03619 MLS001424113 Cahill May Roberts brand of rofecoxib NCGC00095118-03 CHEMBL122 NSC758705 DSSTox_CID_3567 Rofecoxib (Vioxx) GTPL2893 HMS3651F16 2(5H)-Furanone, 4-[4-(methylsulfonyl)phenyl]-3-phenyl- KBio1_001709 3-phenyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone KBio3_002825 4-[4-(methylsulfonyl)phenyl]-3-phenylfuran-2(5H)-one LS-70511 SAM001246617 SPECTRUM1504235 SR-01000762904-5 Vioxx Merck Frosst brandof rofecoxib AJ-08299 MK0966 BRD-K21733600-001-02-6 MolPort-006-817-786 CCRIS 8967 NCGC00095118-08 CS-0997 Q-201676 DTXSID2023567 RT-016235 HMS2089H20 0QTW8Z7MCR HY-17372 3-(4-methanesulfonylphenyl)-2-phenyl-2-buten-4-olide KBio2_003127 4-(4-METHANESULFONYL-PHENYL)-3-PHENYL-5H-FURAN-2-ONE KBioSS_000559 AB00052090-06 SC-17320 Spectrum4_000631 SW219668-1 Vioxx Dolor AB00052090_10 MK 0996 ANW-71936 MLS001165770 C07590 NCGC00095118-01 Ceoxx (TN) NSC-758705 DB00533 FT-0081390 HMS3371P11 2(5H)-Furanone, 4-(4-(methylsulfonyl)phenyl)-3-phenyl- Jsp003237 3-Phenyl-4-(4-(methylsulfonyl)phenyl))-2(5H)-furanone KBio2_007481 4-(p-(Methylsulfonyl)phenyl)-3-phenyl-2(5H)-furanone KS-1107 [ Show all ]
Inchi Key	RZJQGNCSTQAWON-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
PubChem CID	5090
ChEMBL	N/A
IUPHAR	N/A
BindingDB	22369
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	http://pdsp.med.unc.edu/pdsp.php	PDSP

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