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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	SKF 38393
Molecular formula	C16H17NO2
IUPAC name	5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
Molecular weight	255.317
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	2.5
Synonyms	BDBM50004923 CCG-204528 GTPL935 NCGC00015299-04 R(+)SKF38393 SK-383933 1-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol; hydrochloride(SKF 38393) BRD-A88548664-001-02-3 Lopac0_000436 NCGC00024875-02 SCHEMBL469578 SKF-38,393 1H-3-Benzazepine-7,8-diol,2,3,4,5-tetrahydro-1-phenyl-, hydrochloride (1:1) 5-21-05-00258 (Beilstein Handbook Reference) API0009306 BSPBio_002384 CTK5B5738 NCG-C00093856-01 PDSP1_001524 SK&F-383933 SKF38393(hydrochloride) 1-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol (SK&F 38393) 6-PHENYL-4-AZOBICYCLO[5.4.0]UNDECA-7,9,11-TRIENE-9,10-DIOL Biomol-NT_000034 CHEBI:110200 KS-00001CZ8 NCGC00015299-05 R-SK&F 38393 (+/-)-SKF-38393 159795-65-0 AC1L1B1H BRD-A88548664-004-01-9 CHEMBL286080 LS-27997 NCGC00024875-03 SK&F 38393 SKF-38393 1-phenyl-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol 2,3,4,5-Tetrahydro-1-phenyl-1H-3-benzazepine-7,8-diol 5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol BCP16347 C16H17NO2 D0OU7P NCGC00015299-03 PDSP2_001508 SK-38393 SPECTRUM1505101 1-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol(SKF 38393) 67287-49-4 BPBio1_001229 CHEBI:131801 L000563 NCGC00015299-06 RS(+/-)SKF 383931-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol SKF 38393-A (A+/-)-SKF-38393 hydrochloride 1H-3-Benzazepine-7,8-diol, 2,3,4,5-tetrahydro-1-phenyl- 2,3,4,5-Tetrahydro-7,8-dihydroxy-1-phenyl-1H-3-benzazepine AC1Q79Q0 BRN 1543419 cid_147514 MolPort-003-666-576 NCGC00024875-04 SK&F-38393 SKF38393 1-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol [ Show all ]
Inchi Key	JUDKOGFHZYMDMF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2
PubChem CID	1242
ChEMBL	CHEMBL286080
IUPHAR	935
BindingDB	50004923
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	>80.0 %	PMID19559623	ChEMBL
Ki	3096.0 nM	PMID9686407	PDSP

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