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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

NameCHEMBL1082339
Molecular formulaC24H24ClF3N4
IUPAC nameN-[[2-chloro-6-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)imidazo[1,2-a]imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine
Molecular weight460.929
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP6.9
SynonymsSCHEMBL5379102
BDBM50319880
N-benzyl-1-(2-chloro-1-mesityl-6-(trifluoromethyl)-1H-imidazo[1,2-a]imidazol-5-yl)-N-methylmethanamine
Inchi KeyANZDEWUXVOGMOY-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H24ClF3N4/c1-15-10-16(2)21(17(3)11-15)32-20(25)14-31-19(22(24(26,27)28)29-23(31)32)13-30(4)12-18-8-6-5-7-9-18/h5-11,14H,12-13H2,1-4H3
PubChem CID21916299
ChEMBLCHEMBL1082339
IUPHARN/A
BindingDB50319880
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki160.0 nMPMID20471832BindingDB,ChEMBL

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