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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

NameCHEMBL352378
Molecular formulaC19H27ClN4O2
IUPAC name2-N-(2-chloro-4,6-dimethoxyphenyl)-2-N,4-N,4-N-triethyl-6-methylpyrimidine-2,4-diamine
Molecular weight378.901
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.7
SynonymsBDBM50074360
2-[Ethyl(2-chloro-4,6-dimethoxyphenyl)amino]-4-(diethylamino)-6-methylpyrimidine
N*2*-(2-Chloro-4,6-dimethoxy-phenyl)-N*2*,N*4*,N*4*-triethyl-6-methyl-pyrimidine-2,4-diamine
Inchi KeyADSLIDNGJTWAQF-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H27ClN4O2/c1-7-23(8-2)17-10-13(4)21-19(22-17)24(9-3)18-15(20)11-14(25-5)12-16(18)26-6/h10-12H,7-9H2,1-6H3
PubChem CID10595854
ChEMBLCHEMBL352378
IUPHARN/A
BindingDB50074360
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki10.0 nMPMID10072679BindingDB,ChEMBL

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