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GPCR

Name	Histamine H2 receptor
Species	Homo sapiens (Human)
Gene	HRH2
Synonym	HH2R H2R Gastric receptor I H2 receptor
Disease	Ulcerative colitis Pain Peptic ulcer Gastroesophageal reflux disease Gastric ulcer Gastric secretory disorders Stomach ulcer Duodenal ulcers Acid-reflux disorders [ Show all ]
Length	359
Amino acid sequence	MAPNGTASSFCLDSTACKITITVVLAVLILITVAGNVVVCLAVGLNRRLRNLTNCFIVSLAITDLLLGLLVLPFSAIYQLSCKWSFGKVFCNIYTSLDVMLCTASILNLFMISLDRYCAVMDPLRYPVLVTPVRVAISLVLIWVISITLSFLSIHLGWNSRNETSKGNHTTSKCKVQVNEVYGLVDGLVTFYLPLLIMCITYYRIFKVARDQAKRINHISSWKAATIREHKATVTLAAVMGAFIICWFPYFTAFVYRGLRGDDAINEVLEAIVLWLGYANSALNPILYAALNRDFRTGYQQLFCCRLANRNSHKTSLRSNASQLSRTQSREPRQQEEKPLKLQVWSGTEVTAPQGATDR
UniProt	P25021
Protein Data Bank	N/A
GPCR-HGmod model	P25021
3D structure model	This predicted structure model is from GPCR-EXP P25021.
BioLiP	N/A
Therapeutic Target Database	T30985
ChEMBL	CHEMBL1941
IUPHAR	263
DrugBank	BE0000112

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	Lisurid Lisuride [INN:BAN] Lysurid Prestwick0_000106 SPBio_002031 118272-EP2281559A1 3-(9,10-didehydro-6-methyl-8alpha-ergolinyl)-1,1-diethylurea BKRGVLQUQGGVSM-KBXCAEBGSA-N CTK0H5613 Dopergin (TN) Lisuridum Methylergol Carbamide Prestwick3_000106 (+)-lisuride Urea, N'-[(8a)-9,10-didehydro-6-methylergolin-8-yl]-N,N-diethyl- 140387-89-9 C20H26N4O D0X7KB EINECS 241-925-1 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 Arolac (TN) Dipergon (TN) Lisurida Lisuride [INN] Lysuride Prestwick1_000106 UNII-E0QN3D755O 118272-EP2298764A1 3-(9,10-Didehydro-6-methylergolin-8alpha-yl)-1,1-diethylurea BPBio1_000102 Cuvalit (TN) Dopergine (TN) 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 CCG-204836 FT-0670825 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 BDBM50056445 CHEMBL157138 Dopergin 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 BSPBio_000092 D08132 E0QN3D755O 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 CHEBI:51164 DB00589 GTPL43 [ 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	1040.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	1022.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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