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GPCR

NameG-protein coupled receptor 55
SpeciesHomo sapiens (Human)
GeneGPR55
SynonymGPR55
DiseaseN/A
Length319
Amino acid sequenceMSQQNTSGDCLFDGVNELMKTLQFAVHIPTFVLGLLLNLLAIHGFSTFLKNRWPDYAATSIYMINLAVFDLLLVLSLPFKMVLSQVQSPFPSLCTLVECLYFVSMYGSVFTICFISMDRFLAIRYPLLVSHLRSPRKIFGICCTIWVLVWTGSIPIYSFHGKVEKYMCFHNMSDDTWSAKVFFPLEVFGFLLPMGIMGFCCSRSIHILLGRRDHTQDWVQQKACIYSIAASLAVFVVSFLPVHLGFFLQFLVRNSFIVECRAKQSISFFLQLSMCFSNVNCCLDVFCYYFVIKEFRMNIRAHRPSRVQLVLQDTTISRG
UniProtQ9Y2T6
Protein Data BankN/A
GPCR-HGmod modelQ9Y2T6
3D structure modelThis predicted structure model is from GPCR-EXP Q9Y2T6.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1075322
IUPHAR109
DrugBankBE0005802

Ligand

NameAM251
Molecular formulaC22H21Cl2IN4O
IUPAC name1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
Molecular weight555.241
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.5
SynonymsSMR000466284
AOB33718
Bio2_000245
C20220
CS-3920
[ Show all ]
Inchi KeyBUZAJRPLUGXRAB-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
PubChem CID2125
ChEMBLCHEMBL285932
IUPHAR3317
BindingDB21279
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
EC5039.0 - 9600.0 nMPMID17876302, PMID20136841, PMID19723626IUPHAR
EC50630.0 nMMedChemComm, (2014) 5:5:632ChEMBL

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