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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	Rutaecarpine
Molecular formula	C18H13N3O
IUPAC name	3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
Molecular weight	287.322
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.0
Synonyms	R 3277 3,13,21-triazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one Rutaecarpine,(S) 8XZV289PRY SR-01000076104-2 BBL028393 V0371 CHEMBL85139 HMS3263K04 Indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one, 8,13-dihydro- MCULE-8799347749 NCGC00015892-03 NCGC00094364-04 1,1'-Hexamethylenebis (3,3-dimethylurea) Rutacarpine 7,8-dihydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(13H)-one s2349 ACVGWSKVRYFWRP-UHFFFAOYSA-N SW220226-1 C09238 DTXSID00232884 HY-N0147 J10443 MLS006011796 NCGC00015892-06 NSC 258317 Oprea1_313284 3,13,21-triazapentacyclo[11.8.0.0;{2,10}.0;{4,9}.0;{15,20}]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one Rutaecarpine (Rutecarpine) 8,13-dihydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one SMR001230721 ALBB-028246 UPCMLD-DP040 CHEBI:8922 GS-3618 Indolo(2',3':3,4)pyrido(2,1-b)quinazolin-5(7H)-one, 8,13-dihydro- LP01091 NCGC00015892-01 NCGC00094364-01 R0102 Rutecarpine AB0019845 SR-01000076104-6 BCP21309 ZINC898237 cid_65752 HMS3374B10 Indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one,8,13-dihydro- MFCD00210551 NCGC00015892-04 NCGC00261776-01 NSC-258317 210R551 Rutaecarpin 8,13-Dihydro-7H-indolo[2'',3'':3,4]pyrido[2,1-b]quinazolin-5-one SCHEMBL288507 AK168161 Tox21_501091 C18H13N3O EU-0101091 I06-1291 Lopac-R-3277 MolPort-003-959-449 NCGC00015892-07 Q-100850 3,13,21-triazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-1(21),2(10),4(9),5,7,15(20),16,18-octaen-14-one Rutaecarpine, >98% (HPLC) 84-26-4 SR-01000076104 AN-42276 UPCMLD-DP040:001 HMS2233M24 Indolo(2',3':3,4)pyrido(2,1-b)quinazolin-5(7H)-one, 8,13-dihydro- (9CI) LS-83901 NCGC00015892-02 NCGC00094364-03 Rhetine 6,7-[Imino(1,2-phenylene)]-8,9-dihydro-11H-pyrido[2,1-b]quinazoline-11-one Rutecarpine (8CI) AC1L23W8 STL146385 BDBM50131046 CS-6160 HMS3656C09 Indolo[2',4]pyrido[2,1-b]quinazolin-5(7H)-one, 8,13-dihydro- MLS002153304 NCGC00015892-05 NCI60_002069 NSC258317 3,13,21-triazapentacyclo[11.8.0.0(2),(1).0,.0(1),(2)]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one 8,13-Dihydro-indolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one SMP2_000103 AKOS005720935 UNII-8XZV289PRY CCG-205168 FT-0653229 InChI=1/C18H13N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-8,19H,9-10H Lopac0_001091 N1344 NCGC00015892-08 [ Show all ]
Inchi Key	ACVGWSKVRYFWRP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H13N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-8,19H,9-10H2
PubChem CID	65752
ChEMBL	CHEMBL85139
IUPHAR	N/A
BindingDB	50131046
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	<100000.0 nM	, J. Nat. Prod., (1997) 60:11:1196	BindingDB,ChEMBL

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