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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

NameCHEMBL1088624
Molecular formulaC24H30F6N4
IUPAC nameN-(cyclobutylmethyl)-2,2,2-trifluoro-N-[[2-(trifluoromethyl)-8-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-yl]methyl]ethanamine
Molecular weight488.522
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP6.4
SynonymsSCHEMBL5390669
BDBM50314012
N-(cyclobutylmethyl)-2,2,2-trifluoro-N-((8-mesityl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-3-yl)methyl)ethanamine
Inchi KeyAWFSLBIGRQUCJP-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H30F6N4/c1-15-10-16(2)20(17(3)11-15)34-9-5-8-33-19(21(24(28,29)30)31-22(33)34)13-32(14-23(25,26)27)12-18-6-4-7-18/h10-11,18H,4-9,12-14H2,1-3H3
PubChem CID21916306
ChEMBLCHEMBL1088624
IUPHARN/A
BindingDB50314012
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki27.0 nMPMID20185312BindingDB,ChEMBL

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