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GPCR

Name	5-hydroxytryptamine receptor 1B
Species	Rattus norvegicus (Rat)
Gene	Htr1b
Synonym	HTR1D2 5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled 5-HT1Dbeta 5-HT1DB 5-HT1B serotonin receptor 5-HT1B receptor 5-HT1B 5-HT-1B Serotonin receptor 1B [ Show all ]
Disease	N/A for non-human GPCRs
Length	386
Amino acid sequence	MEEQGIQCAPPPPATSQTGVPLANLSHNCSADDYIYQDSIALPWKVLLVALLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASIMHLCVIALDRYWAITDAVDYSAKRTPKRAAIMIVLVWVFSISISLPPFFWRQAKAEEEVLDCFVNTDHVLYTVYSTVGAFYLPTLLLIALYGRIYVEARSRILKQTPNKTGKRLTRAQLITDSPGSTSSVTSINSRVPEVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHMAIFDFFNWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTG
UniProt	P28564
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	CHEMBL3459
IUPHAR	2
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	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 AC1L1G87 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 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 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 AKOS024457950 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)) [ 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	10.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	4.594 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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