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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.
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GPCR

Name	Sphingosine 1-phosphate receptor 4
Species	Homo sapiens (Human)
Gene	S1PR4
Synonym	S1P4 receptor S1P4 S1P receptor Edg-6 S1P receptor 4 endothelial differentiation, G protein-coupled receptor 6 Endothelial differentiation G-protein coupled receptor 6 edg6 Sphingosine 1-phosphate receptor Edg-6 [ Show all ]
Disease	N/A
Length	384
Amino acid sequence	MNATGTPVAPESCQQLAAGGHSRLIVLHYNHSGRLAGRGGPEDGGLGALRGLSVAASCLVVLENLLVLAAITSHMRSRRWVYYCLVNITLSDLLTGAAYLANVLLSGARTFRLAPAQWFLREGLLFTALAASTFSLLFTAGERFATMVRPVAESGATKTSRVYGFIGLCWLLAALLGMLPLLGWNCLCAFDRCSSLLPLYSKRYILFCLVIFAGVLATIMGLYGAIFRLVQASGQKAPRPAARRKARRLLKTVLMILLAFLVCWGPLFGLLLADVFGSNLWAQEYLRGMDWILALAVLNSAVNPIIYSFRSREVCRAVLSFLCCGCLRLGMRGPGDCLARAVEAHSGASTTDSSLRPRDSFRGSRSLSFRMREPLSSISSVRSI
UniProt	O95977
Protein Data Bank	N/A
GPCR-HGmod model	O95977
3D structure model	This predicted structure model is from GPCR-EXP O95977.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3230
IUPHAR	278
DrugBank	N/A

Ligand

Name	2-Amino-N-ethyl-5-nitrobenzenesulfonanilide
Molecular formula	C14H15N3O4S
IUPAC name	2-amino-N-ethyl-5-nitro-N-phenylbenzenesulfonamide
Molecular weight	321.351
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.7
Synonyms	KB-283203 SR-01000638030-1 2-amino-N-ethyl-5-nitro-N-phenylbenzenesulfonamide AKOS000560183 MLS000703410 ZINC3878596 2-azanyl-N-ethyl-5-nitro-N-phenyl-benzenesulfonamide Benzenesulfonamide, 2-amino-N-ethyl-5-nitro-N-phenyl- CTK8G6286 HMS2659J20 SCHEMBL11141887 2-Amino-5-nitro-N-ethyl-N-phenylbenzenesulfonamide AC1L26MZ CCG-48494 Maybridge1_002515 SR-01000638030-2 2-Amino-N-ethyl-5-nitro-N-phenylbenzenesulphonamide BAS 00328919 CHEMBL1562579 MolPort-001-886-250 [(2-amino-5-nitrophenyl)sulfonyl]ethylphenylamine Cambridge id 5211953 DivK1c_001267 HMS548K07 SMR000273874 2-Amino-N-ethyl-5-nitro-N-phenyl-benzenesulfonamide AC1Q6TSJ CDS1_000227 MCULE-2245518324 ST50336926 BDBM47496 cid_67001 NCGC00245071-01 116-34-7 AB00075330-01 CBDivE_007463 EINECS 204-136-3 [ Show all ]
Inchi Key	AGSWRZMLPKYDNM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H15N3O4S/c1-2-16(11-6-4-3-5-7-11)22(20,21)14-10-12(17(18)19)8-9-13(14)15/h3-10H,2,15H2,1H3
PubChem CID	67001
ChEMBL	CHEMBL1562579
IUPHAR	N/A
BindingDB	47496
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	9340.0 nM	PubChem BioAssay data set	ChEMBL

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