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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

NameCHEMBL330954
Molecular formulaC20H25ClN4O
IUPAC name[3-(4-chlorophenyl)-7-(dipropylamino)-5-methylpyrazolo[1,5-a]pyrimidin-2-yl]methanol
Molecular weight372.897
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.4
SynonymsBDBM50148885
[3-(4-Chloro-phenyl)-7-dipropylamino-5-methyl-3H-pyrazolo[1,5-a]pyrimidin-2-yl]-methanol
Inchi KeyAFEASZOEKJUDNB-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H25ClN4O/c1-4-10-24(11-5-2)18-12-14(3)22-20-19(17(13-26)23-25(18)20)15-6-8-16(21)9-7-15/h6-9,12,26H,4-5,10-11,13H2,1-3H3
PubChem CID44347356
ChEMBLCHEMBL330954
IUPHARN/A
BindingDB50148885
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki11.0 nMPMID15203140BindingDB,ChEMBL

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