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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

NameSCHEMBL1613428
Molecular formulaC26H37N3O5S
IUPAC name3-[2,6-dimethoxy-4-(propan-2-yloxymethyl)phenyl]-6-methoxy-N-(oxan-4-yl)-N-propylpyrazolo[5,1-b][1,3]thiazol-7-amine
Molecular weight503.658
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP4.9
SynonymsBDBM101706
CHEMBL3664592
US8530504, 68
Inchi KeyAYIUUGNPOPNTIJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H37N3O5S/c1-7-10-28(19-8-11-33-12-9-19)24-25(32-6)27-29-20(16-35-26(24)29)23-21(30-4)13-18(14-22(23)31-5)15-34-17(2)3/h13-14,16-17,19H,7-12,15H2,1-6H3
PubChem CID58223384
ChEMBLCHEMBL3664592
IUPHARN/A
BindingDB101706
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC5077.0 nM, NoneBindingDB,ChEMBL

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