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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

NameCHEMBL442773
Molecular formulaC21H31N7
IUPAC name2-[butyl-[4-[4-(dimethylamino)-N-ethyl-2-methylanilino]-6-methyl-1,3,5-triazin-2-yl]amino]acetonitrile
Molecular weight381.528
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.7
SynonymsBDBM50074407
(Butyl-{4-[(4-dimethylamino-2-methyl-phenyl)-ethyl-amino]-6-methyl-[1,3,5]triazin-2-yl}-amino)-acetonitrile
Inchi KeyAZAKRKXETQZRBN-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H31N7/c1-7-9-13-27(14-12-22)20-23-17(4)24-21(25-20)28(8-2)19-11-10-18(26(5)6)15-16(19)3/h10-11,15H,7-9,13-14H2,1-6H3
PubChem CID10571912
ChEMBLCHEMBL442773
IUPHARN/A
BindingDB50074407
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki8.0 nMPMID10072679BindingDB,ChEMBL

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