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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	MLS-0413763.0001
Molecular formula	C23H30N2O7S
IUPAC name	3-methoxy-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-(2-methylpropoxy)benzamide
Molecular weight	478.56
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	2.8
Synonyms	4-isobutoxy-3-methoxy-N-(2-methoxy-5-morpholinosulfonyl-phenyl)benzamide HMS3058A09 AKOS001100870 MLS002170362 3-methoxy-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-(2-methylpropoxy)benzamide CHEMBL1722769 ZINC9586706 MCULE-3747312715 BDBM68303 MolPort-004-467-824 3-methoxy-N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]-4-(2-methylpropoxy)benzamide cid_16250706 AB00739410-01 3-methoxy-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-4-(2-methylpropoxy)benzamide SMR001250679 [ Show all ]
Inchi Key	CFTMQROCQNRZNW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H30N2O7S/c1-16(2)15-32-21-7-5-17(13-22(21)30-4)23(26)24-19-14-18(6-8-20(19)29-3)33(27,28)25-9-11-31-12-10-25/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,24,26)
PubChem CID	16250706
ChEMBL	CHEMBL1722769
IUPHAR	N/A
BindingDB	68303
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	4560.0 nM	PubChem BioAssay data set	ChEMBL

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