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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	CHEBI:48565
Molecular formula	C21H26N2O3
IUPAC name	methyl 18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Molecular weight	354.45
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.9
Synonyms	LS-162739 Methyl 17-hydroxyyohimban-16-carboxylate (HCl) NCI60_001630 NSC93133 Yohimban-16-alpha-carboxylic acid, 17-beta-hydroxy-, methyl ester Yohimban-16alpha-carboxylic acid, 17beta-hydroxy-, methyl ester AC1L1ENB BDBM86230 Corynanthin MEGxp0_002061 MolPort-001-741-269 NSC 93133 SC-26067 Yohimban-16-carboxylic acid, methyl ester, (16.alpha.,17.beta.)- 1071758-83-2 AKOS005612952 BRD-A51410489-001-01-4 EINECS 208-977-7 Methyl 17-hydroxyyohimban-16-carboxylate NCGC00015878-06!methyl 18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate NSC19509 SMR000440723 Yohimban-16.alpha.-carboxylic acid, methyl ester 4CN-1339 AN-51049 HMS3372A16 MCULE-4993391700 MFCD00066744 NCI60_003875 NSC_2866 Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16-alpha,17-beta)- Yohimbol-16.alpha.-carboxylic acid, methyl ester .beta.-Yohimbine ACon1_000583 beta-Yohimbin COYNANTHINE Methyl (16alpha,17beta)-17-hydroxyyohimban-16-carboxylate NCGC00015878-03 NSC-407306 SC-35458 Yohimban-16-carboxylic acid, methyl ester, (16.beta.,17.alpha.)- 2-Hydroxy-1,2,3,4,4a,5,7,8,13,13b,14,14a-dodecahydro-indolo[2',3':3,4]pyrido[1,2-b]isoquinoline-1-carboxylic acid methyl ester Amsonin BRD-A51410489-003-02-8 HMS2269J09 Methyl 17-hydroxyyohimban-16-carboxylate # NCGC00015878-08 NSC407306 STK801336 Yohimban-16.beta.-carboxylic acid, methyl ester BBL008941 CHEMBL1531132 L000506 MEGxp0_001106 MLS000863574 NCI60_003876 Rauhimbin Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16alpha,17beta)- 1,2,3,4,4a,5,7,8,13,13b,14,14a-Dodecahydro-2-hydroxy-1-(methoxycarbonyl)benz[g]indolo[2,3-a]quinolizine ACon1_000625 BLGXFZZNTVWLAY-UHFFFAOYSA-N CTK6I8789 methyl 17-hydroxy-20xi-yohimban-16-carboxylate NCGC00015878-04 NSC-93133 SCHEMBL564022 Yohimban-16.alpha.-carboxylic acid, 17.alpha.-hydroxy-, methyl ester 4-METHOXY-BETA-OXO-BENZENEBUTANENITRILE Amsonine CAS_146-48-5 HMS3370N12 [ Show all ]
Inchi Key	BLGXFZZNTVWLAY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3
PubChem CID	2866
ChEMBL	N/A
IUPHAR	N/A
BindingDB	86230
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	50.11 nM	PMID10611634	PDSP
Ki	642.0 nM	PMID9686407	PDSP
Ki	1258.92 nM	PMID10611634	PDSP
Ki	1500.0 nM	PMID8155646	PDSP

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