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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

NameSCHEMBL1614465
Molecular formulaC23H31N3O5S
IUPAC name3-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-6-methoxy-N-(oxolan-3-yl)-N-propylpyrazolo[5,1-b][1,3]thiazol-7-amine
Molecular weight461.577
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP3.7
SynonymsCHEMBL3664551
BDBM101653
US8530504, 14
Inchi KeyBEKKKBHJDOWLJO-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H31N3O5S/c1-6-8-25(16-7-9-31-13-16)21-22(30-5)24-26-17(14-32-23(21)26)20-18(28-3)10-15(12-27-2)11-19(20)29-4/h10-11,14,16H,6-9,12-13H2,1-5H3
PubChem CID58223415
ChEMBLCHEMBL3664551
IUPHARN/A
BindingDB101653
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5051.0 nM, NoneBindingDB,ChEMBL

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