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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

NameCHEMBL362224
Molecular formulaC25H29N3O
IUPAC name[2,5-dimethyl-6-(N-propylanilino)pyrimidin-4-yl]-(2,4,6-trimethylphenyl)methanone
Molecular weight387.527
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP6.6
SynonymsBDBM50149520
[2,5-Dimethyl-6-(phenyl-propyl-amino)-pyrimidin-4-yl]-(2,4,6-trimethyl-phenyl)-methanone
Inchi KeyBBHFIWCFIUBFEY-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H29N3O/c1-7-13-28(21-11-9-8-10-12-21)25-19(5)23(26-20(6)27-25)24(29)22-17(3)14-16(2)15-18(22)4/h8-12,14-15H,7,13H2,1-6H3
PubChem CID44392788
ChEMBLCHEMBL362224
IUPHARN/A
BindingDB50149520
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki180.0 nMPMID15225687BindingDB,ChEMBL

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