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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

NameCHEMBL354871
Molecular formulaC14H16BrN3
IUPAC nameN-(2-bromophenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine
Molecular weight306.207
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.1
SynonymsSCHEMBL7682363
BDBM50074405
ZINC13794601
N-Ethyl-4,6-dimethyl-N-(2-bromophenyl)pyrimidine-2-amine
(2-Bromo-phenyl)-(4,6-dimethyl-pyrimidin-2-yl)-ethyl-amine
Inchi KeyAFIAMYYTCNEEFL-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H16BrN3/c1-4-18(13-8-6-5-7-12(13)15)14-16-10(2)9-11(3)17-14/h5-9H,4H2,1-3H3
PubChem CID10828446
ChEMBLCHEMBL354871
IUPHARN/A
BindingDB50074405
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<1000.0 nMPMID10072679BindingDB,ChEMBL

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