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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

NameCHEMBL3793845
Molecular formulaC22H28Cl2N4O
IUPAC name5-chloro-2-N-(4-chloro-2-methoxy-6-methylphenyl)-3-methyl-4-N,4-N-dipropylbenzimidazole-2,4-diamine
Molecular weight435.393
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP6.8
SynonymsBDBM50161865
SCHEMBL13459232
Inchi KeyAPZMSVITKSNBPC-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H28Cl2N4O/c1-6-10-28(11-7-2)20-16(24)8-9-17-21(20)27(4)22(25-17)26-19-14(3)12-15(23)13-18(19)29-5/h8-9,12-13H,6-7,10-11H2,1-5H3,(H,25,26)
PubChem CID70909665
ChEMBLCHEMBL3793845
IUPHARN/A
BindingDB50161865
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMPMID26901666BindingDB,ChEMBL

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