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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

NameCHEMBL1077155
Molecular formulaC24H34N4O2
IUPAC nameN-butyl-N,2-diethyl-7-oxo-8-(2,4,6-trimethylphenyl)-5,6-dihydroimidazo[1,2-a]pyrimidine-3-carboxamide
Molecular weight410.562
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.2
SynonymsBDBM50314006
N-butyl-N,2-diethyl-8-mesityl-7-oxo-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxamide
Inchi KeyANNYOXHYWHWCPU-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H34N4O2/c1-7-10-12-26(9-3)23(30)22-19(8-2)25-24-27(22)13-11-20(29)28(24)21-17(5)14-16(4)15-18(21)6/h14-15H,7-13H2,1-6H3
PubChem CID46881396
ChEMBLCHEMBL1077155
IUPHARN/A
BindingDB50314006
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<5000.0 nMPMID20185312BindingDB,ChEMBL

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