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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

NameCHEMBL353973
Molecular formulaC17H22BrIN4
IUPAC name2-N-(2-bromo-4-iodophenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine
Molecular weight489.199
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP5.5
Synonyms2-[Ethyl(2-bromo-4-iodophenyl)amino]-4-(diethylamino)-6-methylpyrimidine
BDBM50074393
N*2*-(2-Bromo-4-iodo-phenyl)-N*2*,N*4*,N*4*-triethyl-6-methyl-pyrimidine-2,4-diamine
Inchi KeyBEDIYAIJWSUPPK-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H22BrIN4/c1-5-22(6-2)16-10-12(4)20-17(21-16)23(7-3)15-9-8-13(19)11-14(15)18/h8-11H,5-7H2,1-4H3
PubChem CID10576982
ChEMBLCHEMBL353973
IUPHARN/A
BindingDB50074393
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki9.0 nMPMID10072679BindingDB,ChEMBL

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