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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

NameCHEMBL2049195
Molecular formulaC29H37N3O
IUPAC name5-N-(cyclopropylmethyl)-3-methyl-5-N-(oxan-4-ylmethyl)-2-N-(2,4,6-trimethylphenyl)quinoline-2,5-diamine
Molecular weight443.635
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP7.0
SynonymsBDBM50387021
Inchi KeyAMPLHRZGGAECTP-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H37N3O/c1-19-14-20(2)28(21(3)15-19)31-29-22(4)16-25-26(30-29)6-5-7-27(25)32(17-23-8-9-23)18-24-10-12-33-13-11-24/h5-7,14-16,23-24H,8-13,17-18H2,1-4H3,(H,30,31)
PubChem CID70690480
ChEMBLCHEMBL2049195
IUPHARN/A
BindingDB50387021
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50742.0 nMPMID22683343BindingDB,ChEMBL

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