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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	MLS000706839
Molecular formula	C16H13Cl3N2O3S
IUPAC name	(Z)-2,3-dichloro-3-[(2-chlorophenyl)methylsulfinyl]-N-(6-methoxypyridin-3-yl)prop-2-enamide
Molecular weight	419.701
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.6
Synonyms	HMS2626M14 2,3-dichloro-3-[(2-chlorobenzyl)sulfinyl]-N-(6-methoxy-3-pyridinyl)acrylamide MolPort-002-851-113 (Z)-2,3-bis(chloranyl)-3-[(2-chlorophenyl)methylsulfinyl]-N-(6-methoxypyridin-3-yl)prop-2-enamide AKOS005075099 CHEMBL1382438 (Z)-2,3-dichloro-3-[(2-chlorophenyl)methylsulfinyl]-N-(6-methoxypyridin-3-yl)prop-2-enamide MLS-0253403.0001 337922-38-0 BDBM61541 SMR000334342 (Z)-2,3-dichloro-3-(2-chlorobenzyl)sulfinyl-N-(6-methoxy-3-pyridyl)acrylamide cid_1475345 10K-372S (2Z)-2,3-dichloro-3-[(2-chlorophenyl)methanesulfinyl]-N-(6-methoxypyridin-3-yl)prop-2-enamide AC1LRPAT (Z)-2,3-dichloro-3-[(2-chlorophenyl)methylsulfinyl]-N-(6-methoxy-3-pyridinyl)-2-propenamide [ Show all ]
Inchi Key	KGNTURBTSFOMRB-CCEZHUSRSA-N
Inchi ID	InChI=1S/C16H13Cl3N2O3S/c1-24-13-7-6-11(8-20-13)21-16(22)14(18)15(19)25(23)9-10-4-2-3-5-12(10)17/h2-8H,9H2,1H3,(H,21,22)/b15-14+
PubChem CID	1475345
ChEMBL	CHEMBL1382438
IUPHAR	N/A
BindingDB	N/A
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	3254.89 nM	PubChem BioAssay data set	ChEMBL

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