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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	MLS000533685
Molecular formula	C14H8F3N3O4S2
IUPAC name	2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-benzimidazole
Molecular weight	403.35
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	4.2
Synonyms	MCULE-8444970281 AC1LPRHP REGID_for_CID_1336753 2-[(2-nitro-4-triflyl-phenyl)thio]-1H-benzimidazole F1472-0074 SR-01000667620-2 300696-27-9 2-((2-nitro-4-((trifluoromethyl)sulfonyl)phenyl)thio)-1H-benzo[d]imidazole AKOS001030535 SMR000141130 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-benzimidazole CHEMBL1390139 HMS2292L13 ZINC1170858 MolPort-002-200-443 2-({2-nitro-4-[(trifluoromethyl)sulfonyl]phenyl}thio)-1H-benzimidazole BDBM57129 SR-01000667620 2-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]thio]-1H-benzimidazole cid_1336753 [ Show all ]
Inchi Key	CNXPXYYJQNDCLC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H8F3N3O4S2/c15-14(16,17)26(23,24)8-5-6-12(11(7-8)20(21)22)25-13-18-9-3-1-2-4-10(9)19-13/h1-7H,(H,18,19)
PubChem CID	1336753
ChEMBL	CHEMBL1390139
IUPHAR	N/A
BindingDB	57129
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	770.3 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	1288.0 nM	PubChem BioAssay data set	ChEMBL

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