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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	Nafadotride
Molecular formula	C22H27N3O2
IUPAC name	N-[(1-butylpyrrolidin-2-yl)methyl]-4-cyano-1-methoxynaphthalene-2-carboxamide
Molecular weight	365.477
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.0
Synonyms	AC1MPBUT CHEMBL286252 HMS2052A15 LS-186981 N-[(1-butylpyrrolidin-2-yl)methyl]-4-cyano-1-methoxynaphthalene-2-carboxamide TRA0072321 149649-22-9 BDBM50133923 D0W1HM HMS3370D02 MLS001424218 SAM001247092 CHEBI:64191 FT-0643448 KB-125336 N-[(1-BUTYL-2-PYRROLIDINYL)METHYL]-4-CYANO-1-METHOXY-2-NAPHTHALENECARBOXAMIDE SR-01000597572 AKOS024257976 CPD000466292 HMS2232B11 LS-187623 4-Cyano-1-methoxy-naphthalene-2-carboxylic acid (1-butyl-pyrrolidin-2-ylmethyl)-amide BRD-A71262238-001-04-3 DB-043003 HMS3394A15 MolPort-023-276-076 SCHEMBL635866 A1-01951 GTPL44 L000428 N-[(1-Butyl-2-pyrrolidinyl)methyl]-4-cyano-1-Methoxy-2naphthalenecarboxamide SR-01000597572-1 (+-)-nafadotride BCP27779 CTK8H0240 HMS3267P15 MLS000758952 NC00369 CCG-101119 DTXSID1042603 J-008605 N-((1-butylpyrrolidin-2-yl)methyl)-4-cyano-1-methoxy-2-naphthamide SMR000466292 [ Show all ]
Inchi Key	IDZASIQMRGPBCQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H27N3O2/c1-3-4-11-25-12-7-8-17(25)15-24-22(26)20-13-16(14-23)18-9-5-6-10-19(18)21(20)27-2/h5-6,9-10,13,17H,3-4,7-8,11-12,15H2,1-2H3,(H,24,26)
PubChem CID	3408722
ChEMBL	CHEMBL286252
IUPHAR	44
BindingDB	50133923
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	50.1187 nM	PMID9760039	IUPHAR

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