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GLASS

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GPCR

Name	5-hydroxytryptamine receptor 1A
Species	Homo sapiens (Human)
Gene	HTR1A
Synonym	5-HT-1A 5-HT1A serotonin receptor 1A 5-HT1A receptor 5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled Gpcr18 ADRB2RL1 ADRBRL1 G-21 [ Show all ]
Disease	Urinary incontinence Generalized anxiety disorder Generalized anxiety disorder; Social phobia Hypertension Hypoactive sexual desire disorder Major depressive disorder Major depressive disorder; Episode; Anxiety Migraine Mood disorder Pain Parkinson's disease Premature ejaculation Psychiatric disorder Psychotic disorders Schizoaffective disorder; Schizophrenia Severe mood disorders Unspecified Female sexual dysfunction Eating disorder Schizophrenia Alzheimer disease Alzheimer disease; Peripheral sensory neuropathies; Lateral sclerosis Bulimia nervosa; Severe mood disorders Cervical dystonia; Spasm Cognitive disorders Anxiety disorder Depression Coronary artery disease [ Show all ]
Length	422
Amino acid sequence	MDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKTGADTRHGASPAPQPKKSVNGESGSRNWRLGVESKAGGALCANGAVRQGDDGAALEVIEVHRVGNSKEHLPLPSEAGPTPCAPASFERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPTLLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRQ
UniProt	P08908
Protein Data Bank	N/A
GPCR-HGmod model	P08908
3D structure model	This predicted structure model is from GPCR-EXP P08908.
BioLiP	N/A
Therapeutic Target Database	T78709
ChEMBL	CHEMBL214
IUPHAR	1
DrugBank	BE0000291

Ligand

Name	riluzole
Molecular formula	C8H5F3N2OS
IUPAC name	6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
Molecular weight	234.196
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.6
Synonyms	Riluzole HCl Riluzolum [INN-Latin] SC-64630 ST068834 Tox21_501064 7LJ087RS6F MolPort-000-151-262 ACMC-209e89 NCGC00015882-08 BBL013272 NCGC00023141-04 Bio1_000905 Opera_ID_548 BSPBio_000033 Prestwick3_000167 cid_5070 DSSTox_CID_25192 2-Amino-6-(trifluoromethoxy)-benzothiazole FT-0611194 2-Benzothiazolamine, 6-(trifluoromethoxy)- HMS3371A09 6-(trifluoromethoxy)benzothiazole-2-ylamine KS-5231 Riluzole(Rilutek)/ RP28111 SPBio_000599 SW196805-4 VU0239571-11 LP01064 AB0012884 NCGC00015882-03 ALBB-006046 NCGC00015882-11 BDBM30705 NCGC00261749-01 BPBio1_000037 PK-26124, RP-54274, Rilutek, Riluzole CAS-1744-22-5 Rilutek CTK4D4982 DTXSID3045192 2-amino-6-(trifluoromethoxyl)benzothiazole HMS1773G08 4CA-1092 I01-2084 6-trifluoromethoxy-2-amino-benzothiazole Riluzole (JAN/USAN/INN) Riluzole, United States Pharmacopeia (USP) Reference Standard SBI-0051034.P002 SR-01000002997-3 Tox21_110252 ZERO/001785 6-trifluoromethoxybenzo[d]thiazol-2-amine MFCD00210213 AC1L1JJL NCGC00015882-06 AN-6550 NCGC00015882-15 BIDD:GT0055 NSC753433 BRD-K21283037-003-03-9 Prestwick1_000167 Riluzol DB-030335 2-Amino-6-(Trifluoromethoxy) Benzothiazole F3282-0020 2-amino-6-trifluoromethoxy-benzothiazole HMS2233E14 6-(trifluoromethoxy)-2-aminobenzothiazole KB-20157 Riluzole [USAN:INN] RP 54274 SCHEMBL78905 ST24029598 TR-007739 Lopac-R-116 A-5766 NCGC00015882-01 AJ-08278 NCGC00015882-09 BC219019 NCGC00023141-05 Bio1_001394 Pharmakon1600-01505348 C07937 PubChem14501 CJ-00110 DSSTox_GSID_45192 2-Amino-6-(trifluoromethoxy)benzothiazole FTALBRSUTCGOEG-UHFFFAOYSA-N 2-Benzothiazolamine,6-(trifluoromethoxy)- HMS3657E13 6-(trifluoromethoxy)benzo[d]thiazol-2-amine Riluzole, 98% s1614 SPBio_001954 Tiglutik (thickened oral suspension) Z166605314 LS-40688 ABP000632 NCGC00015882-04 Amino-2 trifluoromethoxy-6 benzothiazole NCGC00015882-12 BENZOTHIAZOLE, 2-AMINO-6-TRIFLUOROMETHOXY- NSC-753433 BPBio1_000837 Prestwick-03A08 CCG-39528 Rilutek (TN) D00775 EN300-23782 2-Amino-6-trifluoro- methoxybenzothiazole HMS2089O19 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine J10184 6-Trifluoromethoxy-benzothiazol-2-ylamine Riluzole (Rilutek) Riluzolum SC-18839 ST038494 Tox21_110252_1 ZINC6481 744R225 MLS000069369 AC1Q530H NCGC00015882-07 ANW-22711 NCGC00023141-02 Bio1_000416 NSC759823 BRD-K21283037-003-06-2 Prestwick2_000167 CHEMBL744 Riluzol [INN-Spanish] DB00740 2-amino-6-(trifluoromethoxy)-1,3-benzothiazole FT-0082997 2-amino-6-trifluoromethoxybenzothiazole HMS3263E10 6-(trifluoromethoxy)benzothiazol-2-amine KS-00000W6R Riluzole [USAN:USP:INN:BAN] RP-54274 SMR000058231 STK503686 UNII-7LJ087RS6F Lopac0_001064 A13951 NCGC00015882-02 AKOS000265071 NCGC00015882-10 BCP02142 NCGC00023141-06 Biomol-NT_000245 PK-26124 C8H5F3N2OS R-116 CS-2156 DSSTox_RID_80739 2-amino-6-(trifluoromethoxy)benzo[d]thiazole GTPL2326 HY-B0211 6-trifluoromethoxy-1,3-benzothiazol-2-ylamine Riluzole, solid SBB012436 Spectrum2_000550 Tocris-0768 ZB000641 6-trifluoromethoxybenzothiazole-2-yl-amine MCULE-9362288181 AC-730 NCGC00015882-05 Amino-2 trifluoromethoxy-6 benzothiazole [French] NCGC00015882-13 BF-37 NSC-759823 BRD-K21283037-001-02-5 Prestwick0_000167 CHEBI:8863 Rilutek\|\|\|Rilutor\|\|\|6-(Trifluoromethoxy)-2-benzothiazolamine D0H0KB 1744-22-5 EU-0101064 2-Amino-6-trifluoro-methoxybenzothiazole HMS2094G07 6-(Trifluoromethoxy)-2-amino-benzothiazole J10441 [ Show all ]
Inchi Key	FTALBRSUTCGOEG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)
PubChem CID	5070
ChEMBL	CHEMBL744
IUPHAR	N/A
BindingDB	30705
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	99000.0 nM	N/A	BindingDB

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