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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

NameCHEMBL1807021
Molecular formulaC21H25Cl2N3
IUPAC name5-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-3,6-diethylpyrazin-2-amine
Molecular weight390.352
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.2
SynonymsSCHEMBL5417266
BDBM50348810
Inchi KeyAHURLKZRJLULLB-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H25Cl2N3/c1-3-17-20(15-10-9-14(22)11-16(15)23)24-18(4-2)21(25-17)26-19(12-5-6-12)13-7-8-13/h9-13,19H,3-8H2,1-2H3,(H,25,26)
PubChem CID18449330
ChEMBLCHEMBL1807021
IUPHARN/A
BindingDB50348810
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki3.7 nMPMID21618986BindingDB,ChEMBL

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