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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

NameCHEMBL81376
Molecular formulaC24H23ClN2O
IUPAC name1-(2-chloro-4-methylanilino)-1-(2-ethenylphenyl)-4-pyridin-4-ylbutan-2-one
Molecular weight390.911
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.9
Synonyms1-(2-Chloro-4-methyl-phenylamino)-4-pyridin-4-yl-1-(2-vinyl-phenyl)-butan-2-one
BDBM50145740
Inchi KeyADGMESDWXBUFLH-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H23ClN2O/c1-3-19-6-4-5-7-20(19)24(27-22-10-8-17(2)16-21(22)25)23(28)11-9-18-12-14-26-15-13-18/h3-8,10,12-16,24,27H,1,9,11H2,2H3
PubChem CID44317759
ChEMBLCHEMBL81376
IUPHARN/A
BindingDB50145740
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki752.0 nMPMID15115386ChEMBL
Ki752.0 nMPMID15115386BindingDB

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