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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-0300380.0001
Molecular formula	C19H17N5O2S
IUPAC name	methyl 1-phenyl-5-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]pyrazole-4-carboxylate
Molecular weight	379.438
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.3
Synonyms	BDBM75860 MLS000834948 CHEMBL1709028 1-phenyl-5-[(E)-(phenylthiocarbamoylhydrazono)methyl]pyrazole-4-carboxylic acid methyl ester methyl 5-[2-(anilinocarbothioyl)carbohydrazonoyl]-1-phenyl-1H-pyrazole-4-carboxylate CCG-255948 MolPort-002-925-731 cid_9581006 5-[(E)-[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]-1-phenyl-4-pyrazolecarboxylic acid methyl ester SMR000461564 methyl 1-phenyl-5-[(E)-(phenylcarbamothioylhydrazinylidene)methyl]pyrazole-4-carboxylate [ Show all ]
Inchi Key	BNHOWVNWMKVGHF-DEDYPNTBSA-N
Inchi ID	InChI=1S/C19H17N5O2S/c1-26-18(25)16-12-21-24(15-10-6-3-7-11-15)17(16)13-20-23-19(27)22-14-8-4-2-5-9-14/h2-13H,1H3,(H2,22,23,27)/b20-13+
PubChem CID	9581006
ChEMBL	CHEMBL1709028
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	15100.0 nM	PubChem BioAssay data set	ChEMBL

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