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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

NameCHEMBL132055
Molecular formulaC17H20Cl3N3OS
IUPAC nameN-butyl-N-ethyl-4-methyl-2-(2,4,6-trichloroanilino)-1,3-thiazole-5-carboxamide
Molecular weight420.777
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP6.5
Synonyms4-Methyl-2-(2,4,6-trichloro-phenylamino)-thiazole-5-carboxylic acid butyl-ethyl-amide
BDBM50135344
SCHEMBL6605011
Inchi KeyAAFBEHNXWXLBMK-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H20Cl3N3OS/c1-4-6-7-23(5-2)16(24)15-10(3)21-17(25-15)22-14-12(19)8-11(18)9-13(14)20/h8-9H,4-7H2,1-3H3,(H,21,22)
PubChem CID10180472
ChEMBLCHEMBL132055
IUPHARN/A
BindingDB50135344
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki2800.0 nMPMID14592493BindingDB,ChEMBL

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