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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	.delta.-Yohimbine
Molecular formula	C21H24N2O3
IUPAC name	methyl 16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
Molecular weight	352.434
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.7
Synonyms	NSC72115 Raubasil ST50219455 WLN: T F6 D5 C666 EM ON SO TU&&TTTJ R1 UVO1 876659-81-3 Alkaloid II cid_251561 Isoarteril MLS000111555 NCI60_041492 Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, (19.alpha.)- Rauvasan Tensyl ACN-056788 BAS 00225301 H3160 MCULE-3271406637 NSC-72133 Ranitol SR-01000625463 Vinceine Alkaloid C CCG-103005 Hydrosarpan Methyl 19-methyl-16,17-didehydrooxayohimban-16-carboxylate MLS002540766 NSC72133 Raubasin STK367072 (-)-Ajmalicin AC1L5K45 Alstonine,4,5,6-tetrahydro- D01JGV L001109 NCI60_041515 Oxayohimban-16-carboxylic acid,17-didehydro-19-methyl-, methyl ester, (19.alpha.)- SCHEMBL309915 Vincain AKOS000730693 BBL005709 HMS1607K01 methyl 1-methyl-5,11,14,14a,4a,5a-hexahydro-1H-indolo[2,3-a]pyrano[3,4-g]quino lizine-4-carboxylate NSC-95087 Raubaserp SR-01000625463-4 VU0002262-1 6474-90-4 Alkaloid F CHEMBL1604074 I06-0408 Methyl 19-methyl-16,17-didehydrooxayohimban-16-carboxylate # MolPort-001-918-389 NSC95087 Raumalina Substance II (-)-Tetrahydroalstonine AC1Q5YMQ Alstonine,4,5,6-tetrahydro-, (3.alpha.)- GRTOGORTSDXSFK-UHFFFAOYSA-N Lamuran NSC-72115 Oxayohimban-16-carboxylic acid,17-didehydro-19-methyl-, methyl ester, (19.alpha.,20.alpha.)- SMR000107477 Vincein 16,17-Didehydro-19.alpha.-methyloxayohimban-16-carboxylic acid methyl ester AKOS021983176 BDBM30993 HMS2271A14 methyl 19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate [ Show all ]
Inchi Key	GRTOGORTSDXSFK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3
PubChem CID	251561
ChEMBL	N/A
IUPHAR	N/A
BindingDB	30993
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	99000.0 nM	N/A	BindingDB

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