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GLASS

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GPCR

Name	G-protein coupled receptor 55
Species	Homo sapiens (Human)
Gene	GPR55
Synonym	GPR55
Disease	N/A
Length	319
Amino acid sequence	MSQQNTSGDCLFDGVNELMKTLQFAVHIPTFVLGLLLNLLAIHGFSTFLKNRWPDYAATSIYMINLAVFDLLLVLSLPFKMVLSQVQSPFPSLCTLVECLYFVSMYGSVFTICFISMDRFLAIRYPLLVSHLRSPRKIFGICCTIWVLVWTGSIPIYSFHGKVEKYMCFHNMSDDTWSAKVFFPLEVFGFLLPMGIMGFCCSRSIHILLGRRDHTQDWVQQKACIYSIAASLAVFVVSFLPVHLGFFLQFLVRNSFIVECRAKQSISFFLQLSMCFSNVNCCLDVFCYYFVIKEFRMNIRAHRPSRVQLVLQDTTISRG
UniProt	Q9Y2T6
Protein Data Bank	N/A
GPCR-HGmod model	Q9Y2T6
3D structure model	This predicted structure model is from GPCR-EXP Q9Y2T6.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1075322
IUPHAR	109
DrugBank	BE0005802

Ligand

Name	MLS000862515
Molecular formula	C28H25N5O4S
IUPAC name	N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-6,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide
Molecular weight	527.599
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	4.4
Synonyms	(6,8-dimethyl-2-(3-pyridyl)(4-quinolyl))-N-(4-{[(3,4-dimethylisoxazol-5-yl)ami no]sulfonyl}phenyl)carboxamide cid_1261290 N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-6,8-dimethyl-2-pyridin-3-yl-quinoline-4-carboxamide ZINC1073423 AKOS003365596 MLS-0266854.0001 N-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-6,8-dimethyl-2-(3-pyridyl)cinchoninamide MolPort-001-610-272 ST50858287 HMS2655C17 N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-6,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide BDBM61528 N-{4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl}-6,8-dimethyl-2-(pyridin-3-yl)quinoline-4-carboxamide CHEMBL1567371 N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-6,8-dimethyl-2-(3-pyridinyl)-4-quinolinecarboxamide STK462098 AC1LOD43 MCULE-7556387488 N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(3-pyridinyl)-4-quinolinecarboxamide CHEBI:93170 MLS003183104 SMR000300554 [ Show all ]
Inchi Key	DOQFHXQSFNOXOF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H25N5O4S/c1-16-12-17(2)26-23(13-16)24(14-25(31-26)20-6-5-11-29-15-20)27(34)30-21-7-9-22(10-8-21)38(35,36)33-28-18(3)19(4)32-37-28/h5-15,33H,1-4H3,(H,30,34)
PubChem CID	1261290
ChEMBL	CHEMBL1567371
IUPHAR	N/A
BindingDB	61528
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	457.0 nM	PubChem BioAssay data set	ChEMBL
IC50	1548.03 nM	N/A	BindingDB
IC50	1548.03 nM	PubChem BioAssay data set	ChEMBL

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