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GPCR

NameCorticotropin-releasing factor receptor 1
SpeciesRattus norvegicus (Rat)
GeneCrhr1
SynonymCRH-R1
CRH-R-1
CRFR1
CRFR-1
CRF1 receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length415
Amino acid sequenceMGRRPQLRLVKALLLLGLNPVSTSLQDQRCENLSLTSNVSGLQCNASVDLIGTCWPRSPAGQLVVRPCPAFFYGVRYNTTNNGYRECLANGSWAARVNYSECQEILNEEKKSKVHYHVAVIINYLGHCISLVALLVAFVLFLRLRSIRCLRNIIHWNLISAFILRNATWFVVQLTVSPEVHQSNVAWCRLVTAAYNYFHVTNFFWMFGEGCYLHTAIVLTYSTDRLRKWMFVCIGWGVPFPIIVAWAIGKLHYDNEKCWFGKRPGVYTDYIYQGPMILVLLINFIFLFNIVRILMTKLRASTTSETIQYRKAVKATLVLLPLLGITYMLFFVNPGEDEVSRVVFIYFNSFLESFQGFFVSVFYCFLNSEVRSAIRKRWRRWQDKHSIRARVARAMSIPTSPTRVSFHSIKQSTAV
UniProtP35353
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4649
IUPHAR212
DrugBankN/A

Ligand

NameCHEMBL165818
Molecular formulaC18H16BrN3
IUPAC name1-(2-bromo-4-propan-2-ylphenyl)-4-methylpyrrolo[2,3-b]pyridine-3-carbonitrile
Molecular weight354.251
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.8
Synonyms1-(2-Bromo-4-isopropyl-phenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
BDBM50074438
1-(2-Bromo-4-isopropylphenyl)-4-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
Inchi KeyBRMLMCCMPKITGY-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H16BrN3/c1-11(2)13-4-5-16(15(19)8-13)22-10-14(9-20)17-12(3)6-7-21-18(17)22/h4-8,10-11H,1-3H3
PubChem CID10808015
ChEMBLCHEMBL165818
IUPHARN/A
BindingDB50074438
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID10072680BindingDB,ChEMBL

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