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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	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	SR-01000698447
Molecular formula	C23H24ClN3O3
IUPAC name	[1-(4-ethylanilino)-1-oxopropan-2-yl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate
Molecular weight	425.913
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	5.1
Synonyms	1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester HMS2608C06 Z25456736 AKOS033941815 MolPort-005-863-021 1-[(4-ethylphenyl)carbamoyl]ethyl 1-benzyl-5-chloro-3-methyl-1H-pyrazole-4-carboxylate CHEMBL1384963 SR-01000698447-2 956754-02-2 MCULE-4542484047 [1-(4-ethylanilino)-1-oxopropan-2-yl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate BDBM79461 SMR000249675 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [1-(4-ethylanilino)-1-oxopropan-2-yl] ester cid_3324089 SR-01000698447-3 AC1MOPLP MLS000334917 [1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate [ Show all ]
Inchi Key	CMESBGDQHPKECY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H24ClN3O3/c1-4-17-10-12-19(13-11-17)25-22(28)16(3)30-23(29)20-15(2)26-27(21(20)24)14-18-8-6-5-7-9-18/h5-13,16H,4,14H2,1-3H3,(H,25,28)
PubChem CID	3324089
ChEMBL	CHEMBL1384963
IUPHAR	N/A
BindingDB	79461
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<50000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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