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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	5-hydroxytryptamine receptor 4
Species	Cavia porcellus (Guinea pig)
Gene	HTR4
Synonym	5-HT-4 5-HT4 Serotonin receptor 4
Disease	N/A for non-human GPCRs
Length	388
Amino acid sequence	MDKLDANVSSKEGFGSVEKVVLLTFLSAVILMAILGNLLVMVAVCRDRQLRKIKTNYFIVSLAFADLLVSVLVMPFGAIELVQDIWVYGEMFCLVRTSLDVLLTTASIFHLCCISLDRYYAICCQPLVYRNKMTPLRIALMLGGCWVIPMFISFLPIMQGWNNIGIVDLIEKRKFNQNSNSTYCVFMVNKPYAITCSVVAFYIPFLLMVLAYYRIYVTAKEHARQIQVLQRAGAPAEGRPQPADQHSTHRMRTETKAAKTLCIIMGCFCLCWAPFFVTNIVDPFIDYTVPGQLWTAFLWLGYINSGLNPFLYAFLNKSFRRAFLIILCCDDERYRRPSILGQTVPCSTTTINGSTHVLRDTVECGGQWESQCHPAASSPLVAAQPIDT
UniProt	O70528
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	CHEMBL5017
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	SDZ-205557
Molecular formula	C14H21ClN2O3
IUPAC name	2-(diethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate
Molecular weight	300.783
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.2
Synonyms	137196-67-9 Biomol-NT_000157 CTK4C0686 LS-187597 PDSP2_001652 SDZ 205-557 2-diethylaminoethyl [2-methoxy-4-amino-5-chloro]benzoate ACMC-20cut4 BRD-K15868788-003-02-8 GTPL258 NCGC00015916-04 Benzoic acid, 4-amino-5-chloro-2-methoxy-, 2-(diethylamino)ethyl ester Lopac0_001153 NCGC00092301-03 2-(Diethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate AC1L1JSU BPBio1_000574 D0W8EP NCGC00015916-01 SCHEMBL1038983 SDZ 205557 2-methoxy-4-amino-5-chloro-benzoic acid 2-(diethylamino) ethyl ester AKOS030238974 CCG-205227 L001009 NCGC00015916-05 ZINC1544798 4-Amino-5-chloro-2-methoxy-benzoic acid 2-diethylamino-ethyl ester Benzoic acid,4-amino-5-chloro-2-methoxy-, 2-(diethylamino)ethyl ester CHEMBL287045 LS-186950 PDSP1_001668 2-diethylaminoethyl 4-amino-5-chloro-2-methoxybenzoate AC1Q3LU5 BRD-K15868788-001-01-4 DTXSID90160102 NCGC00015916-03 Sdz 205,557 SDZ-205-557 2-Methoxy-4-amino-5-chlorobenzoic acid 2-(diethylamino)ethyl ester BDBM50056401 CHEBI:92288 Lopac-S-174 NCGC00092301-02 [ Show all ]
Inchi Key	FFNWMBDISAYHDC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H21ClN2O3/c1-4-17(5-2)6-7-20-14(18)10-8-11(15)12(16)9-13(10)19-3/h8-9H,4-7,16H2,1-3H3
PubChem CID	5191
ChEMBL	CHEMBL287045
IUPHAR	258
BindingDB	50056401
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	7.4 pA2	PMID12540230	ChEMBL
EC50	<1000.0 nM	, Bioorg. Med. Chem. Lett., (1994) 4:12:1433	BindingDB,ChEMBL
IC50	77.0 nM	, PMID9046352, Bioorg. Med. Chem. Lett., (1994) 4:12:1433	BindingDB,ChEMBL
IC50	251.0 nM	PMID8258837	BindingDB
IC50	251.19 nM	PMID8258837	ChEMBL
Ki	2.51 nM	PMID8903510	PDSP,BindingDB
Ki	6.3 nM	PMID7984267, PMID8358562	PDSP,BindingDB
Ki	7.94 nM	PMID7984267, PMID8358562	PDSP,BindingDB
pD2	7.0 -	Bioorg. Med. Chem. Lett., (1992) 2:5:461	ChEMBL

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