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GPCR

Name	5-hydroxytryptamine receptor 1A
Species	Rattus norvegicus (Rat)
Gene	Htr1a
Synonym	5-HT1A receptor 5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled 5-HT1A ADRB2RL1 ADRBRL1 5-HT-1A Gpcr18 Serotonin receptor 1A [ Show all ]
Disease	N/A for non-human GPCRs
Length	422
Amino acid sequence	MDVFSFGQGNNTTASQEPFGTGGNVTSISDVTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVRKVEKKGAGTSLGTSSAPPPKKSLNGQPGSGDWRRCAENRAVGTPCTNGAVRQGDDEATLEVIEVHRVGNSKEHLPLPSESGSNSYAPACLERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPALLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRR
UniProt	P19327
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL273
IUPHAR	1
DrugBank	N/A

Ligand

Name	LISURIDE
Molecular formula	C20H26N4O
IUPAC name	3-[(6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea
Molecular weight	338.455
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	2.7
Synonyms	BSPBio_000092 D08132 E0QN3D755O Lisurida [INN-Spanish] lisuride, (S) Lysuride Hydrogen Maleate Prestwick2_000106 Urea, N'-((8alpha)-9,10-didehydro-6-methylergolin-8-yl)-N,N-diethyl- 118272-EP2298765A1 CHEBI:51164 DB00589 GTPL43 Lisuride (S)(-) Lopac0_000751 N'-((8alpha)-9,10-Didehydro-6-methylergolin-8-yl)-N,N-diethylurea Prolacam (TN) 1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroergolin-8-yl]urea 19875-60-6 (maleate (1:1)) AKOS024457950 BKRGVLQUQGGVSM-KBXCAEBGSA-N CTK0H5613 Dopergin (TN) Lisurid Lisuride [INN:BAN] Lysurid Prestwick0_000106 SPBio_002031 118272-EP2281559A1 3-(9,10-didehydro-6-methyl-8alpha-ergolinyl)-1,1-diethylurea C20H26N4O D0X7KB EINECS 241-925-1 Lisuridum Methylergol Carbamide Prestwick3_000106 (+)-lisuride Urea, N'-[(8a)-9,10-didehydro-6-methylergolin-8-yl]-N,N-diethyl- 140387-89-9 Arolac (TN) Dipergon (TN) H8G lisuride maleate LS-159312 N,N-diethyl-N'-[(8alpha)-6-methyl-9,10-didehydroergolin-8-yl]urea Revanil (TN) 118272-EP2275420A1 3,3-diethyl-1-[(4S,7R)-6-methyl-6,11-diazatetracyclo[7.6.1.0;{2,7}.0;{12,16}]hexadeca-1(16),2,9,12,14-pentaen-4-yl]urea BPBio1_000102 Cuvalit (TN) Dopergine (TN) Lisurida Lisuride [INN] Lysuride Prestwick1_000106 UNII-E0QN3D755O 118272-EP2298764A1 3-(9,10-Didehydro-6-methylergolin-8alpha-yl)-1,1-diethylurea CCG-204836 FT-0670825 Lisuride (INN) Lisuridum [INN-Latin] N''-((8alpha)-9,10-Didehydro-6-methylergolin-8-yl)-N,N-diethylurea Prestwick_525 1,1-diethyl-3-(9,10-didehydro-6-methyl-8alpha-ergolinyl)urea ZINC3831001 18016-80-3 AC1L1G87 BDBM50056445 CHEMBL157138 Dopergin HMS1568E14 Lisuride Maleate (1:1) Lysenyl Forte (TN) NCGC00179663-02 SCHEMBL43950 118272-EP2280008A2 3,3-diethyl-1-[(4S,7R)-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaen-4-yl]urea [ Show all ]
Inchi Key	BKRGVLQUQGGVSM-KBXCAEBGSA-N
Inchi ID	InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
PubChem CID	28864
ChEMBL	CHEMBL157138
IUPHAR	43
BindingDB	50056445
DrugBank	DB00589
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	0.465 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	0.266 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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