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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

NameCHEMBL249212
Molecular formulaC25H28Cl2FN5O
IUPAC name2-N-(3,5-dichloropyridin-2-yl)-3,6-diethyl-5-N-[(1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl]-2-N-methylpyrazine-2,5-diamine
Molecular weight504.431
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP6.1
SynonymsBDBM50223025
N2-(3,5-dichloropyridin-2-yl)-3,6-diethyl-N5-((1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl)-N2-methylpyrazine-2,5-diamine
Inchi KeyAXRGGNRDBYIQOI-FCHUYYIVSA-N
Inchi IDInChI=1S/C25H28Cl2FN5O/c1-4-19-23(32-22-17-9-7-6-8-15(17)12-21(22)34-11-10-28)30-20(5-2)25(31-19)33(3)24-18(27)13-16(26)14-29-24/h6-9,13-14,21-22H,4-5,10-12H2,1-3H3,(H,30,32)/t21-,22+/m0/s1
PubChem CID44443661
ChEMBLCHEMBL249212
IUPHARN/A
BindingDB50223025
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki1208.0 nMPMID17888659BindingDB,ChEMBL

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