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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	AM 281
Molecular formula	C21H19Cl2IN4O2
IUPAC name	1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide
Molecular weight	557.213
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	5.3
Synonyms	1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-(morpholin-4-yl)-1H-pyrazole-3-carboxamide AM281, >=98% (HPLC) J-013143 SBP4A4DYH2 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-morpholino-1H-pyrazole-3-carboxamide AJFFBPZYXRNAIC-UHFFFAOYSA-N BCP07951 D0UD9H MFCD01861180 SR-01000597389-1 202463-68-1 AM-281 BRD-K59419204-001-01-9 GTPL741 NCGC00025009-02 UNII-SBP4A4DYH2 1-(2,4-Dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-4-morpholinyl-1H-pyrazole-3-carboxamide AC1N7ICF B6603 CHEMBL476833 KB-309876 SCHEMBL1517458 1H-Pyrazole-3-carboxamide, 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-4-morpholinyl- AKOS024456391 BDBM50267372 EX-A1546 MolPort-003-940-033 Tocris-1115 1-(2,4-DICHLORO-PHENYL)-5-(4-IODO-PHENYL)-4-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID MORPHOLIN-4-YL AMIDE AM281 CHEBI:93039 HMS3267K18 RT-011256 ZINC2575699 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide ACM202463681 BC600570 CTK8E9266 L023967 SR-01000597389 1H-Pyrazole-3-carboxamide,1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-4-morpholinyl- BN0064 FT-0752198 NCGC00025009-01 TRA0027415 [ Show all ]
Inchi Key	AJFFBPZYXRNAIC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H19Cl2IN4O2/c1-13-19(21(29)26-27-8-10-30-11-9-27)25-28(18-7-4-15(22)12-17(18)23)20(13)14-2-5-16(24)6-3-14/h2-7,12H,8-11H2,1H3,(H,26,29)
PubChem CID	4302962
ChEMBL	CHEMBL476833
IUPHAR	741
BindingDB	50267372
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
EC50	13600.0 nM	MedChemComm, (2014) 5:5:632	ChEMBL
IC50	3.0 - 13.6 nM	PMID17876302, PMID20136841	IUPHAR

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