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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

NameCHEMBL332721
Molecular formulaC20H22Cl2N4
IUPAC nameN-(cyclopropylmethyl)-3-(2,4-dichlorophenyl)-N-ethyl-1,5-dimethylpyrazolo[4,3-b]pyridin-7-amine
Molecular weight389.324
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.1
SynonymsBDBM50132932
Cyclopropylmethyl-[3-(2,4-dichloro-phenyl)-1,5-dimethyl-1H-pyrazolo[4,3-b]pyridin-7-yl]-ethyl-amine
N-(Cyclopropylmethyl)-N-ethyl-1,5-dimethyl-3-(2,4-dichlorophenyl)-1H-pyrazolo[4,3-b]pyridine-7-amine
Inchi KeyAXSAXWWLBPZENZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22Cl2N4/c1-4-26(11-13-5-6-13)17-9-12(2)23-19-18(24-25(3)20(17)19)15-8-7-14(21)10-16(15)22/h7-10,13H,4-6,11H2,1-3H3
PubChem CID44341737
ChEMBLCHEMBL332721
IUPHARN/A
BindingDB50132932
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki4.4 nMPMID12951128BindingDB,ChEMBL

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