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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	DL-Homocysteine
Molecular formula	C4H9NO2S
IUPAC name	2-amino-4-sulfanylbutanoic acid
Molecular weight	135.181
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	-3.4
Synonyms	NSC_778 184291-EP2275404A1 TR-037238 2-amino-4-mercapto-DL-Butyric acid 454H295 AKOS009156824 Butyric acid, 2-amino-4-mercapto-, DL- D,L-Homocysteine EINECS 207-222-9 Homocysteine, L- MolPort-001-792-076 (S)-2-amino-4-mercapto-Butanoate SC-50870 184291-EP2280003A2 2-amino-4-sulfanyl-butanoic acid BDBM86202 CAS_778 DL-2-Amino-4-mercaptobutyric acid Hcy KB-50322 NSC-206252 NSC206252 184291-EP2269992A1 ST51016083 2-amino-4-mercapto-Butanoic acid 454-28-4 AC1Q50C4 Butanoic acid, 2-amino-4-mercapto- CS-W021561 DL-Homocysteine, >=95% (titration) Homocysteine # LS-75890 PubChem19432 184291-EP2277865A1 USAF B-12 2-Amino-4-mercaptobutanoic acid 4CH-016196 AN-45000 Butyric acid, 2-amino-4-mercapto-, DL- (9CI) DB-020435 FFFHZYDWPBMWHY-UHFFFAOYSA-N HY-W040821 NSC 206252 NSC-43117 (S)-2-amino-4-mercapto-Butanoic acid SCHEMBL35836 1C51025E-77A8-4D48-8DC1-692A15D7F9D4 2-amino-4-sulfanylbutanoate AB0011058 bmse000430 CHEBI:17230 homo-cys KSC491O8H NSC43117 184291-EP2275102A1 TR-017265 2-amino-4-mercapto-DL-Butyrate 454-29-5 ACMC-1B2D6 Butyric acid, 2-amino-4-mercapto- CTK3J1783 DL-Homocysteine, analytical standard Homocysteine, dl- MCULE-8057550187 (+-)-Homocysteine RTR-017265 184291-EP2277867A2 W-106139 2-Amino-4-mercaptobutyric acid 6681-97-6 ANW-30276 C05330 DL-2-amino-4-mercapto-Butyric acid FT-0625470 I04-0139 NSC-118376 NSC118376 ST24039929 2-amino-4-mercapto-Butanoate 2-amino-4-sulfanylbutanoic acid AC1L1A05 BRN 5493225 CHEMBL310604 DL-Homocysteine (free base) homocysteine L-2-amino-4-mercapto-Butyric acid [ Show all ]
Inchi Key	FFFHZYDWPBMWHY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)
PubChem CID	778
ChEMBL	N/A
IUPHAR	N/A
BindingDB	86202
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	PMID12649361	PDSP,BindingDB

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