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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	MLS000044646
Molecular formula	C10H7F3N2O3S
IUPAC name	4-(furan-2-yl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine
Molecular weight	292.232
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	1.5
Synonyms	4-(2-furyl)-2-(methylsulfonyl)-6-(trifluoromethyl)pyrimidine CHEMBL1444859 4-(furan-2-yl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine MLS-0050257.0001 CCG-27093 SMR000022590 4-(2-furyl)-2-mesyl-6-(trifluoromethyl)pyrimidine cid_3237865 AC1MMFBL 4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)pyrimidine STK341742 4-(furan-2-yl)-2-(methylsulfonyl)-6-(trifluoromethyl)pyrimidine EU-0089250 BDBM31064 REGID_for_CID_3237865 [ Show all ]
Inchi Key	DYLWYHLPRCPPQD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3
PubChem CID	3237865
ChEMBL	CHEMBL1444859
IUPHAR	N/A
BindingDB	31064
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	3304.0 nM	N/A	BindingDB

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