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GPCR

NameCorticotropin-releasing factor receptor 2
SpeciesHomo sapiens (Human)
GeneCRHR2
SynonymCRH-R2
CRH-R-2
CRFR2beta
CRFR2alpha
CRFR2
[ Show all ]
DiseaseGeneralized anxiety disorder
Anxiety disorder
Congestive heart failure
Eating disorders stimulate food consumption anxiety
Length411
Amino acid sequenceMDAALLHSLLEANCSLALAEELLLDGWGPPLDPEGPYSYCNTTLDQIGTCWPRSAAGALVERPCPEYFNGVKYNTTRNAYRECLENGTWASKINYSQCEPILDDKQRKYDLHYRIALVVNYLGHCVSVAALVAAFLLFLALRSIRCLRNVIHWNLITTFILRNVMWFLLQLVDHEVHESNEVWCRCITTIFNYFVVTNFFWMFVEGCYLHTAIVMTYSTERLRKCLFLFIGWCIPFPIIVAWAIGKLYYENEQCWFGKEPGDLVDYIYQGPIILVLLINFVFLFNIVRILMTKLRASTTSETIQYRKAVKATLVLLPLLGITYMLFFVNPGEDDLSQIMFIYFNSFLQSFQGFFVSVFYCFFNGEVRSAVRKRWHRWQDHHSLRVPMARAMSIPTSPTRISFHSIKQTAAV
UniProtQ13324
Protein Data BankN/A
GPCR-HGmod modelQ13324
3D structure modelThis predicted structure model is from GPCR-EXP Q13324.
BioLiPN/A
Therapeutic Target DatabaseT11011
ChEMBLCHEMBL4069
IUPHAR213
DrugBankN/A

Ligand

NameCHEMBL2179195
Molecular formulaC26H37N3O5S
IUPAC nameN-butyl-3-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-6-methoxy-N-(oxan-4-yl)pyrazolo[5,1-b][1,3]thiazol-7-amine
Molecular weight503.658
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP4.8
SynonymsSCHEMBL3101033
BDBM50398565
MKMSLJYQGXJIQH-UHFFFAOYSA-N
N-butyl-3-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-6-methoxy-N-(tetrahydro-2H-pyran-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-amine
Inchi KeyMKMSLJYQGXJIQH-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H37N3O5S/c1-6-8-11-28(19-9-12-34-13-10-19)24-25(32-5)27-29-20(17-35-26(24)29)23-21(30-3)14-18(16-33-7-2)15-22(23)31-4/h14-15,17,19H,6-13,16H2,1-5H3
PubChem CID57912459
ChEMBLCHEMBL2179195
IUPHARN/A
BindingDB50398565
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMPMID22971011BindingDB,ChEMBL

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