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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

NameCHEMBL2087797
Molecular formulaC28H37N3O5S
IUPAC name1-[[[7-[2,6-dimethoxy-4-(methoxymethyl)phenyl]-2-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]-(oxan-4-ylmethyl)amino]methyl]cyclopropan-1-ol
Molecular weight527.68
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.6
SynonymsBDBM50420933
Inchi KeyAZLADSZDYUMESB-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H37N3O5S/c1-33-17-20-14-23(34-2)25(24(15-20)35-3)21-6-5-7-22-26(27(37-4)29-31(21)22)30(18-28(32)10-11-28)16-19-8-12-36-13-9-19/h5-7,14-15,19,32H,8-13,16-18H2,1-4H3
PubChem CID60155889
ChEMBLCHEMBL2087797
IUPHARN/A
BindingDB50420933
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5098.0 nMPMID22587443BindingDB,ChEMBL

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