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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	MLS000080863
Molecular formula	C14H20N2O3S
IUPAC name	(2S)-2-[(2,4-dimethylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
Molecular weight	296.385
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	2.3
Synonyms	HMS2185J21 ZINC2435076 AKOS005503752 MolPort-002-655-894 (2S)-2-[(2,4-dimethylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid CHEMBL1577713 SMR000045900 958960-83-3 MCULE-3342499640 (2S)-2-[(2,4-dimethylphenyl)carbamoylamino]-4-(methylthio)butyric acid AKOS010436956 N-[(2,4-dimethylphenyl)carbamoyl]-L-methionine (2S)-2-[[(2,4-dimethylanilino)-oxomethyl]amino]-4-(methylthio)butanoic acid cid_664998 STK579629 AC1LDCU6 (2S)-2-[(2,4-dimethylphenyl)carbamoylamino]-4-methylsulfanyl-butanoic acid BDBM30780 Opera_ID_1681 [ Show all ]
Inchi Key	AAOBSPUWTDJXRC-LBPRGKRZSA-N
Inchi ID	InChI=1S/C14H20N2O3S/c1-9-4-5-11(10(2)8-9)15-14(19)16-12(13(17)18)6-7-20-3/h4-5,8,12H,6-7H2,1-3H3,(H,17,18)(H2,15,16,19)/t12-/m0/s1
PubChem CID	664998
ChEMBL	N/A
IUPHAR	N/A
BindingDB	30780
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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