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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

NameCHEMBL248816
Molecular formulaC23H28N4O
IUPAC name3,6-diethyl-5-(3-methylpyridin-2-yl)oxy-N-(1-phenylpropyl)pyrazin-2-amine
Molecular weight376.504
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.7
SynonymsBDBM50223034
3,6-diethyl-5-(3-methylpyridin-2-yloxy)-N-(1-phenylpropyl)pyrazin-2-amine
Inchi KeyBCBJNWHOTOYKGN-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H28N4O/c1-5-18(17-13-9-8-10-14-17)25-21-19(6-2)27-23(20(7-3)26-21)28-22-16(4)12-11-15-24-22/h8-15,18H,5-7H2,1-4H3,(H,25,26)
PubChem CID44443602
ChEMBLCHEMBL248816
IUPHARN/A
BindingDB50223034
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki2434.0 nMPMID17888659BindingDB,ChEMBL

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