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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

NameCHEMBL138597
Molecular formulaC20H20F3N5
IUPAC name2-N-(2,6-dimethylphenyl)-6-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine
Molecular weight387.41
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP5.7
SynonymsBDBM50054228
N-(2,6-Dimethyl-phenyl)-6-methyl-N''-(4-trifluoromethyl-benzyl)-[1,3,5]triazine-2,4-diamine
Inchi KeyAXDQIHAWGDHZFC-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H20F3N5/c1-12-5-4-6-13(2)17(12)27-19-26-14(3)25-18(28-19)24-11-15-7-9-16(10-8-15)20(21,22)23/h4-10H,11H2,1-3H3,(H2,24,25,26,27,28)
PubChem CID10548253
ChEMBLCHEMBL138597
IUPHARN/A
BindingDB50054228
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID8893828BindingDB,ChEMBL

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