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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

NameMLS000531878
Molecular formulaC20H25ClN4O4S2
IUPAC name5-chloro-N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-propylsulfanylpyrimidine-4-carboxamide
Molecular weight485.014
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.4
Synonyms5-chloro-N-{4-[(2,6-dimethylmorpholin-4-yl)sulfonyl]phenyl}-2-(propylthio)pyrimidine-4-carboxamide
CHEMBL1458591
STK882506
5-chloro-N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-propylsulfanylpyrimidine-4-carboxamide
AC1MGBKL
[ Show all ]
Inchi KeyCHNIQWINVIPUAO-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H25ClN4O4S2/c1-4-9-30-20-22-10-17(21)18(24-20)19(26)23-15-5-7-16(8-6-15)31(27,28)25-11-13(2)29-14(3)12-25/h5-8,10,13-14H,4,9,11-12H2,1-3H3,(H,23,26)
PubChem CID2983586
ChEMBLCHEMBL1458591
IUPHARN/A
BindingDB61440
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC505752.48 nMN/ABindingDB
IC505752.48 nMPubChem BioAssay data setChEMBL

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