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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	158985-00-3
Molecular formula	C18H19ClN4
IUPAC name	3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
Molecular weight	326.828
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.4
Synonyms	3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine BRD-K05528470-001-01-9 CPMPP-3 L-745,870 NCGC00015588-01 NSC_3853 1H-Pyrrolo[2,3-b]pyridine,3-[[4-(4-chlorophenyl)-1-piperazinyl]methyl]- AC1NSK75 CAS_3853 DTXSID40415513 L745870 NCGC00015588-04 SCHEMBL1059886 3-(4-[4-Chlorophenyl]piperazin-1-yl)-methyl-1H-pyrrolo[2,3-b]pyridine trihydrochloride Biomol-NT_000049 J3OLN3XSX7 LS-186986 NCGC00024931-02 ZINC95803215 BRD-K05528470-305-01-4 D0N1HW L-745870 NCGC00015588-02 PDSP1_001576 3-((4-(4-chlorophenyl)piperazin-1-yl)methyl)-1H-pyrrolo(2,3-b)pyridine API0003103 CCG-204875 FT-0689275 Lopac-L-131 NCGC00015588-05 Tocris-1002 3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-pyrrolo[2,3-b]pyridine BPBio1_001299 CHEMBL267014 L 745,870 LS-187628 NCGC00024931-03 C099630000 DA-09764 L000337 NCGC00015588-03 PDSP2_001560 3-((4-(4-Chlorophenyl)piperazin-1-yl)methyl)-1H-pyrrolo[2,3-b]pyridine BDBM85093 CHEBI:92099 GTPL3303 Lopac0_000791 NCGC00024931-01 UNII-J3OLN3XSX7 [ Show all ]
Inchi Key	OGJGQVFWEPNYSB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
PubChem CID	5311200
ChEMBL	CHEMBL267014
IUPHAR	3303
BindingDB	85093
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	6620.9 nM	PMID11378358	ChEMBL
Ki	6621.0 nM	PMID11378358	BindingDB

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