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GPCR

Name	5-hydroxytryptamine receptor 7
Species	Homo sapiens (Human)
Gene	HTR7
Synonym	5-HT-7 Serotonin receptor 7 5-HT-X 5-HT1Y 5-HT7 GPRFO 5-HT7 receptor 5-HTx 5-hydroxytryptamine (serotonin) receptor 7, adenylate cyclase-coupled [ Show all ]
Disease	Sleep disorders Schizophrenia Major depressive disorder
Length	479
Amino acid sequence	MMDVNSSGRPDLYGHLRSFLLPEVGRGLPDLSPDGGADPVAGSWAPHLLSEVTASPAPTWDAPPDNASGCGEQINYGRVEKVVIGSILTLITLLTIAGNCLVVISVCFVKKLRQPSNYLIVSLALADLSVAVAVMPFVSVTDLIGGKWIFGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGKCMAKMILSVWLLSASITLPPLFGWAQNVNDDKVCLISQDFGYTIYSTAVAFYIPMSVMLFMYYQIYKAARKSAAKHKFPGFPRVEPDSVIALNGIVKLQKEVEECANLSRLLKHERKNISIFKREQKAATTLGIIVGAFTVCWLPFFLLSTARPFICGTSCSCIPLWVERTFLWLGYANSLINPFIYAFFNRDLRTTYRSLLQCQYRNINRKLSAAGMHEALKLAERPERPEFVLRACTRRVLLRPEKRPPVSVWVLQSPDHHNWLADKMLTTVEKKVMIHD
UniProt	P34969
Protein Data Bank	N/A
GPCR-HGmod model	P34969
3D structure model	This predicted structure model is from GPCR-EXP P34969.
BioLiP	N/A
Therapeutic Target Database	T79062
ChEMBL	CHEMBL3155
IUPHAR	12
DrugBank	BE0000650, BE0004862

Ligand

Name	SB-269970
Molecular formula	C18H28N2O3S
IUPAC name	3-[(2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonylphenol
Molecular weight	352.493
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.9
Synonyms	(R)-3-((2-(2-(4-Methylpiperidin-1-yl)ethyl)pyrrolidin-1-yl)sulfonyl)phenol 3-{(R)-2-[2-(4-Methyl-piperidin-1-yl)-ethyl]-pyrrolidine-1-sulfonyl}-phenol AC1O7H0E CCG-205136 FT-0771258 NCGC00025229-03 SB269970 (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidine-1-sulfonyl)phenol 3-{2-[2-(4-Methyl-piperidin-1-yl)-ethyl]-pyrrolidine-1-sulfonyl}-phenol (SB-269970) AKOS024465019 CHEMBL282199 HY-15370 SB 269970 Tocris-1612 3-[(2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonylphenol BDBM50098551 D0YP7L NCGC00025229-01 SB-269970-A (r)-3-(2-(2-(4-methylpiperidin-1-yl)-ethyl)pyrrolidine-1-sulfonyl)phenol 3-{(S)-2-[2-(4-Methyl-piperidin-1-yl)-ethyl]-pyrrolidine-1-sulfonyl}-phenol AJ-47584 CHEBI:92426 GTPL3233 Pyrrolidine, 1-((3-hydroxyphenyl)sulfonyl)-2-(2-(4-methyl-1-piperidinyl)ethyl)-, (R)- SCHEMBL375474 201038-74-6 AX8294918 CS-1645 KB-80497 SB-269,970 ZINC3982174 3-[(2R)-2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-1-sulfonyl]phenol AB0048092 BRD-K24201553-003-02-4 NCGC00025229-02 SB19510 (R)-3-(2-(2-(4-methylpiperidin-1-yl)ethyl)pyrrolidin-1-ylsulfonyl)phenol 3-{2-[2-(4-Methyl-piperidin-1-yl)-ethyl]-pyrrolidine-1-sulfonyl}-phenol AK163801 GTPL3247 Pyrrolidine,1-((3-hydroxyphenyl)sulfonyl)-2-(2-(4-Methyl-1-piperidinyl)ethyl)-,(R)- ST24035398 2921AH BCPP000080 D0IT3X Lopac0_001059 [3H]SB269970 [ Show all ]
Inchi Key	HWKROQUZSKPIKQ-MRXNPFEDSA-N
Inchi ID	InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1
PubChem CID	6604889
ChEMBL	CHEMBL282199
IUPHAR	3233, 3247
BindingDB	50098551
DrugBank	DB13988
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
Activity	<95.0 %	PMID18361484	ChEMBL
Activity	80.0 %	PMID18361484	ChEMBL
IC50	3.7 nM	PMID27475109	BindingDB
IC50	3.71 nM	PMID27475109	ChEMBL
IC50	3.715 nM	PMID27475109	ChEMBL
Imax	100.0 %	PMID27475109	ChEMBL
Inhibition	97.0 %	PMID28063784	ChEMBL
Inhibition	102.0 %	PMID25127461, PMID26852005	ChEMBL
Inhibition	104.0 %	PMID23810425	ChEMBL
Kb	1.2 nM	PMID24805037	ChEMBL
Kd	1.2 nM	PMID10807680	IUPHAR
Kd	9.7 nM	PMID21620533	BindingDB,ChEMBL
Ki	0.3388 nM	PMID26852005	ChEMBL
Ki	0.338844 nM	PMID26852005	BindingDB
Ki	0.34 nM	PMID25127461, PMID27475109, PMID26852005	ChEMBL
Ki	0.34 nM	PMID25127461, PMID27475109, PMID26852005	BindingDB
Ki	0.71 nM	PMID28063784, PMID25759032	BindingDB
Ki	0.71 nM	PMID28063784, PMID25759032	ChEMBL
Ki	1.0 nM	PMID21159507, PMID12161155	BindingDB,ChEMBL
Ki	1.2 nM	PMID22001327, PMID22926225, PMID19560916	BindingDB,ChEMBL
Ki	1.25893 - 2.51189 nM	PMID10807680	IUPHAR
Ki	1.259 nM	PMID10669560, PMID14667218, PMID27717652	ChEMBL
Ki	1.26 nM	PMID25128671, PMID23541835, PMID10669560	BindingDB,ChEMBL
Ki	1.3 nM	PMID25128671, PMID23541835, PMID12392747, PMID12825922, PMID27717652	BindingDB,ChEMBL
pKb	8.3 -	PMID12825922	ChEMBL