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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	SMR000128269
Molecular formula	C20H19ClN4O3S3
IUPAC name	N-(6-chloro-1,3-benzothiazol-2-yl)-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide
Molecular weight	495.027
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	5.4
Synonyms	CHEMBL1469184 MolPort-007-652-724 AKOS022038389 HMS1502G14 N-(6-chloro-1,3-benzothiazol-2-yl)-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butyramide CCG-30377 MLS000523003 AC1O7V63 ChemDiv3_010354 N-(6-chloranyl-1,3-benzothiazol-2-yl)-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide BDBM61446 HMS2259F08 N-(6-chloro-1,3-benzothiazol-2-yl)-N-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]valinamide MLS002587734 AKOS001811993 cid_6622712 N-(6-chloro-1,3-benzothiazol-2-yl)-3-methyl-2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]butanamide BRD-A62949160-001-01-4 MCULE-9513749027 [ Show all ]
Inchi Key	BGDQXCGGTXBCBY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H19ClN4O3S3/c1-10(2)18(19(26)24-20-23-15-6-4-12(21)8-16(15)30-20)25-31(27,28)13-5-7-14-17(9-13)29-11(3)22-14/h4-10,18,25H,1-3H3,(H,23,24,26)
PubChem CID	6622712
ChEMBL	CHEMBL1469184
IUPHAR	N/A
BindingDB	61446
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
IC50	893.607 nM	N/A	BindingDB
IC50	893.61 nM	PubChem BioAssay data set	ChEMBL

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