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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

NameCHEMBL302396
Molecular formulaC23H27N3O3S
IUPAC nameN-propyl-N-(1-thiophen-2-ylcyclopropyl)-4-(2,4,6-trimethoxyphenyl)pyrimidin-2-amine
Molecular weight425.547
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.7
SynonymsBDBM50144190
Propyl-(1-thiophen-2-yl-cyclopropyl)-[4-(2,4,6-trimethoxy-phenyl)-pyrimidin-2-yl]-amine
Inchi KeyBBVBVFFELLROLS-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27N3O3S/c1-5-12-26(23(9-10-23)20-7-6-13-30-20)22-24-11-8-17(25-22)21-18(28-3)14-16(27-2)15-19(21)29-4/h6-8,11,13-15H,5,9-10,12H2,1-4H3
PubChem CID44305986
ChEMBLCHEMBL302396
IUPHARN/A
BindingDB50144190
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki250.0 nMPMID15080983BindingDB,ChEMBL

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