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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

NameSCHEMBL1614189
Molecular formulaC24H33N3O5S
IUPAC name3-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-6-methoxy-N-(oxolan-3-yl)-N-propylpyrazolo[5,1-b][1,3]thiazol-7-amine
Molecular weight475.604
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP4.1
SynonymsCHEMBL3664574
BDBM101684
US8530504, 46
Inchi KeyAEPDUIFAQHQJHH-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H33N3O5S/c1-6-9-26(17-8-10-32-14-17)22-23(30-5)25-27-18(15-33-24(22)27)21-19(28-3)11-16(13-31-7-2)12-20(21)29-4/h11-12,15,17H,6-10,13-14H2,1-5H3
PubChem CID58223381
ChEMBLCHEMBL3664574
IUPHARN/A
BindingDB101684
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5026.0 nM, NoneBindingDB,ChEMBL

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