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GPCR

NameCorticotropin-releasing factor receptor 1
SpeciesHomo sapiens (Human)
GeneCRHR1
SynonymCRHR
CRH-R1
CRH-R-1
CRFR1
CRFR-1
[ Show all ]
DiseaseMajor depressive disorder; Severe mood disorder
Depression; Anxiety
Depression
Irritable bowel syndrome
Anxiety disorder; Depression
[ Show all ]
Length444
Amino acid sequenceMGGHPQLRLVKALLLLGLNPVSASLQDQHCESLSLASNISGLQCNASVDLIGTCWPRSPAGQLVVRPCPAFFYGVRYNTTNNGYRECLANGSWAARVNYSECQEILNEEKKSKVHYHVAVIINYLGHCISLVALLVAFVLFLRLRPGCTHWGDQADGALEVGAPWSGAPFQVRRSIRCLRNIIHWNLISAFILRNATWFVVQLTMSPEVHQSNVGWCRLVTAAYNYFHVTNFFWMFGEGCYLHTAIVLTYSTDRLRKWMFICIGWGVPFPIIVAWAIGKLYYDNEKCWFGKRPGVYTDYIYQGPMILVLLINFIFLFNIVRILMTKLRASTTSETIQYRKAVKATLVLLPLLGITYMLFFVNPGEDEVSRVVFIYFNSFLESFQGFFVSVFYCFLNSEVRSAIRKRWHRWQDKHSIRARVARAMSIPTSPTRVSFHSIKQSTAV
UniProtP34998
Protein Data Bank4z9g, 4k5y
GPCR-HGmod modelP34998
3D structure modelThis structure is from PDB ID 4z9g.
BioLiPBL0350036,BL0350037,BL0350038, BL0251208
Therapeutic Target DatabaseT45262
ChEMBLCHEMBL1800
IUPHAR212
DrugBankBE0008658

Ligand

NameCHEMBL17656
Molecular formulaC21H28N4O3S
IUPAC name7-[bis(2-methoxyethyl)amino]-5-methyl-3-(2,4,6-trimethylphenyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-one
Molecular weight416.54
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.7
SynonymsBDBM50076902
7-[Bis-(2-methoxy-ethyl)-amino]-5-methyl-3-(2,4,6-trimethyl-phenyl)-3H-thiazolo[4,5-d]pyrimidin-2-one
3-Mesityl-5-methyl-7-[bis(2-methoxyethyl)amino]-2,3-dihydrothiazolo[4,5-d]pyrimidine-2-one
Inchi KeyAWOSLARSDHOWLE-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H28N4O3S/c1-13-11-14(2)17(15(3)12-13)25-20-18(29-21(25)26)19(22-16(4)23-20)24(7-9-27-5)8-10-28-6/h11-12H,7-10H2,1-6H3
PubChem CID9931738
ChEMBLCHEMBL17656
IUPHARN/A
BindingDB50076902
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki5.0 nMPMID10328310BindingDB,ChEMBL

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