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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	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	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 (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 [ 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
Kd	3.981 nM	PMID17649988	ChEMBL
Kd	6.31 nM	PMID17649988	ChEMBL
Kd	7.943 nM	PMID17649988	ChEMBL
Kd	8.913 nM	PMID17649988	ChEMBL
Kd	10.96 nM	PMID18800769	ChEMBL
Kd	12.59 nM	PMID17649988	ChEMBL
Kd	14.45 nM	PMID17649988, PMID18800769	ChEMBL
Kd	15.85 nM	PMID18800769	ChEMBL
Kd	20.42 nM	PMID18800769	ChEMBL
Kd	33.11 nM	PMID17649988, PMID18800769	ChEMBL

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