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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

NameCHEMBL69968
Molecular formulaC18H19Cl2N5
IUPAC nameN-cyclopentyl-3-(2,4-dichlorophenyl)-2,5-dimethylpyrazolo[4,3-d]pyrimidin-7-amine
Molecular weight376.285
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50116121
Cyclopentyl-[3-(2,4-dichloro-phenyl)-2,5-dimethyl-2H-pyrazolo[4,3-d]pyrimidin-7-yl]-amine
N-Cyclopentyl-2,5-dimethyl-3-(2,4-dichlorophenyl)-2H-pyrazolo[4,3-d]pyrimidine-7-amine
Inchi KeyAIVYXSGNYNBFLN-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H19Cl2N5/c1-10-21-15-16(18(22-10)23-12-5-3-4-6-12)24-25(2)17(15)13-8-7-11(19)9-14(13)20/h7-9,12H,3-6H2,1-2H3,(H,21,22,23)
PubChem CID44308187
ChEMBLCHEMBL69968
IUPHARN/A
BindingDB50116121
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki17.0 nMPMID12127521BindingDB,ChEMBL

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