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GPCR

Name	5-hydroxytryptamine receptor 7
Species	Cavia porcellus (Guinea pig)
Gene	HTR7
Synonym	5-HT-7 5-HT-X 5-HT7 Serotonin receptor 7
Disease	N/A for non-human GPCRs
Length	446
Amino acid sequence	MMGVNSSGRPDLYGHLHSILLPGRGLPDWSPDGGADPGVSTWTPRLLSGVPEVAASPSPSWDGTWDNVSGCGEQINYGRAEKVVIGSILTLITLLTIAGNCLVVISVCFVKKLRQPSNYLIVSLALADLSVAVAVIPFVSVTDLIGGKWIFGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGKCMPKMILSVWLLSASITLPPLFGWAQNVNDDKVCLISQDFGYTIYSTAVAFYIPMSVMLFMYYRIYKAARKSAAKHKFPGFPRVQPESIISLNGMVKLQKEVEECANLSRLLKHERKNISIFKREQKAATTLGIIVGAFTVCWLPFFLLSTARPFICGTACSCIPLWVERTCLWLGYANSLINPFIYAFFNRDLRTTYRSLLQCQYRNINRKLSAAGMHEALKLAERPERPECVLQNSDYCRKKGHDS
UniProt	P50407
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	CHEMBL5494
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	Mesulergine
Molecular formula	C18H26N4O2S
IUPAC name	(6aR,9S,10aR)-9-(dimethylsulfamoylamino)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline
Molecular weight	362.492
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	1.4
Synonyms	2N-[4,7-dimethyl-(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]-2-dimethylaminosulfonamide AB01275438-01 CAS-64795-35-3 D0K5NZ Mesulergina N'-[(8alpha)-1,6-dimethylergolin-8-yl]-N,N-dimethylsulfuric diamide Sulfamide, N'-[(8a)-1,6-dimethylergolin-8-yl]-N,N-dimethyl- UNII-SML95FK06I 4,7-dimethyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-amine-sulfonamide BDBM50024204 CHEMBL12314 DSSTox_RID_81540 Mesulergine [INN] NCGC00163168-03 1H-imidazo[4,5-c]pyridine derivative 72786-12-0 (mono-hydrochloride) BRD-K91336023-001-01-4 CTK2F7769 HMS2089G12 N''-4,7-Dimethyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinolin-9-yl)-N''-,N''-dimethyl-sulphonediamine SR-05000001430 3-(1,6-Dimethyl-8alpha-ergolinyl)-1,1-dimethylsulfamid AC1L2AKM CHEBI:73378 DSSTox_CID_26324 Mesulergina [INN-Spanish] NCGC00163168-01 Tox21_112023 ZINC4216874 (6aR,9S,10aR)-9-(dimethylsulfamoylamino)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline Biomol-NT_000077 ChEMBL_10959 DTXSID3046324 Mesulerginum SCHEMBL292175 9-N,N-dimethylsulfamide-4,7-dimethyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline C18H26N4O2S CU-32085 LS-147708 N'-(1,6-Dimethylergolin-8alpha-yl)-N,N-dimethylsulfamide SR-05000001430-1 Tox21_112023_1 4,7-dimethyl-(6aR,9S,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-amino-N,N-dimethyl sulfonamide AC1Q6V4R DSSTox_GSID_46324 NCGC00163168-02 1,6-dimethyl-8a-(n,n-dimethylsulfamoylamino)ergoline 64795-35-3 BPBio1_001398 CQ 32085 GTPL206 Mesulerginum [INN-Latin] SML95FK06I [ Show all ]
Inchi Key	JLVHTNZNKOSCNB-YSVLISHTSA-N
Inchi ID	InChI=1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15+,17+/m0/s1
PubChem CID	68848
ChEMBL	CHEMBL12314
IUPHAR	206
BindingDB	50024204
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	12.59 nM	PMID10051134	BindingDB
Ki	15.48 nM	PMID7647964	BindingDB
Ki	15.85 nM	PMID9149537	BindingDB
Ki	66.06 nM	PMID7647964	BindingDB

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