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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

NameCHEMBL65721
Molecular formulaC16H14F3N3O
IUPAC name2-oxo-N'-phenyl-N-[2-(trifluoromethyl)anilino]propanimidamide
Molecular weight321.303
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.6
SynonymsBDBM50113174
(1E)-2-oxo-N-phenyl-N''-[2-(trifluoromethyl)phenyl]propanehydrazonamide
Inchi KeyATZSULXIYQOLPZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H14F3N3O/c1-11(23)15(20-12-7-3-2-4-8-12)22-21-14-10-6-5-9-13(14)16(17,18)19/h2-10,21H,1H3,(H,20,22)
PubChem CID10892583
ChEMBLCHEMBL65721
IUPHARN/A
BindingDB50113174
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki2261.0 nMPMID12014949BindingDB,ChEMBL

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