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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	CHEMBL372222
Molecular formula	C25H26ClN5O2
IUPAC name	3-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-6-(4-methylphenyl)-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
Molecular weight	463.966
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	4.0
Synonyms	3-(2-(4-(2-chlorophenyl)piperazin-1-yl)ethyl)-6-p-tolyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione BDBM50164343 3-{2-[4-(2-Chloro-phenyl)-piperazin-1-yl]-ethyl}-6-p-tolyl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
Inchi Key	DSHAQKQNBSNNEJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H26ClN5O2/c1-17-6-8-18(9-7-17)20-16-21-23(27-20)24(32)31(25(33)28-21)15-12-29-10-13-30(14-11-29)22-5-3-2-4-19(22)26/h2-9,16,27H,10-15H2,1H3,(H,28,33)
PubChem CID	11751611
ChEMBL	CHEMBL372222
IUPHAR	N/A
BindingDB	50164343
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	PMID16216506	BindingDB,ChEMBL

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