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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

NameCHEMBL567382
Molecular formulaC22H28N8O
IUPAC name1-(4-methoxy-2-methylphenyl)-3,6-dimethyl-N-[5-(propylaminomethyl)imidazol-1-yl]pyrazolo[3,4-d]pyrimidin-4-amine
Molecular weight420.521
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.2
SynonymsBDBM50302592
1-(4-methoxy-2-methylphenyl)-3,6-dimethyl-N-(5-((propylamino)methyl)-1H-imidazol-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Inchi KeyAWDUCKGMUNKMFY-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H28N8O/c1-6-9-23-11-17-12-24-13-29(17)28-21-20-15(3)27-30(22(20)26-16(4)25-21)19-8-7-18(31-5)10-14(19)2/h7-8,10,12-13,23H,6,9,11H2,1-5H3,(H,25,26,28)
PubChem CID45484976
ChEMBLCHEMBL567382
IUPHARN/A
BindingDB50302592
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki2500.0 nMPMID19782566BindingDB,ChEMBL

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