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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	LE 300
Molecular formula	C20H22N2
IUPAC name	11-methyl-11,21-diazatetracyclo[12.7.0.03,8.015,20]henicosa-1(14),3,5,7,15,17,19-heptaene
Molecular weight	290.41
Hydrogen bond acceptor	1
Hydrogen bond donor	1
XlogP	4.3
Synonyms	3-Methyl-1,2,3,4,5,8-hexahydro-(14,15-[1,4]butanediylidene-(7,6-(iminoethano)-3-benzoazecine))-17-ene ACM274694983 CCG-204784 HMS2233O19 LE-300 NCGC00015614-03 SCHEMBL12610513 7-methyl-6,7,8,9,14,15-hexahydro-5H-benzo[7,8]azecino[5,4-b]indole(LE 300) B6824 CHEMBL441618 HMS3372E16 LP00699 NCGC00025255-01 SR-01000075963-1 11-methyl-11,21-diazatetracyclo[12.7.0.0^{3,8}.0^{15,20}]henicosa-1(14),3(8),4,6,15,17,19-heptaene 7-methyl-6,7,8,9,14,15-hexahydro-5H-indolo[3,2-f][3]benzazecine BRD-K01648091-001-01-8 DTXSID20402244 NCGC00015614-01 NCGC00261384-01 Tox21_500699 AKOS024456742 CHEBI:92030 HMS3262K19 Lopac-L-8401 NCGC00015614-04 SMR001230741 7-Methyl-6,7,8,9,14,15-hexahydro-5H-benz[d]indolo[2,3-g]azecine BDBM50088341 CTK8E8452 J-016773 MLS002153328 NCGC00025255-02 SR-01000075963-3 274694-98-3 AC1N8VWD BRD-K01648091-001-04-2 EU-0100699 LE 300, solid NCGC00015614-02 RT-013566 ZINC1486281 6,7,8,9,14,15-Hexahydro-7-methyl-5H-indolo[3,2-f][3]benzazecine API0008482 HMS3268M15 Lopac0_000699 NCGC00015614-05 SR-01000075963 7-Methyl-6,7,8,9,14,15-hexahydro-5H-indolo[3,2-f][3]-benzazecine BN0302 D07YLK L 8401 MolPort-003-958-572 NCGC00025255-03 Tocris-1674 [ Show all ]
Inchi Key	YEWGIGCYIAMFMA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H22N2/c1-22-12-10-15-6-2-3-7-16(15)14-20-18(11-13-22)17-8-4-5-9-19(17)21-20/h2-9,21H,10-14H2,1H3
PubChem CID	4350931
ChEMBL	CHEMBL441618
IUPHAR	N/A
BindingDB	50088341
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	-72.0 %	PMID10821720	ChEMBL

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