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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

NameCHEMBL310343
Molecular formulaC25H27ClN2O
IUPAC name1-(2-chloro-4-methylanilino)-1-(2-propan-2-ylphenyl)-4-pyridin-4-ylbutan-2-one
Molecular weight406.954
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.3
SynonymsBDBM50145728
1-(2-Chloro-4-methyl-phenylamino)-1-(2-isopropyl-phenyl)-4-pyridin-4-yl-butan-2-one
Inchi KeyAEJQSVDZOIAELQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H27ClN2O/c1-17(2)20-6-4-5-7-21(20)25(28-23-10-8-18(3)16-22(23)26)24(29)11-9-19-12-14-27-15-13-19/h4-8,10,12-17,25,28H,9,11H2,1-3H3
PubChem CID44317667
ChEMBLCHEMBL310343
IUPHARN/A
BindingDB50145728
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki3295.0 nMPMID15115386BindingDB,ChEMBL

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