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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

NameCHEMBL1083822
Molecular formulaC27H34N4O
IUPAC nameN-benzyl-2-methyl-N-propyl-8-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine-3-carboxamide
Molecular weight430.596
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.8
SynonymsBDBM50313992
N-benzyl-8-mesityl-2-methyl-N-propyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-3-carboxamide
Inchi KeyBAASZDMCYFWYFM-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H34N4O/c1-6-13-29(18-23-11-8-7-9-12-23)26(32)25-22(5)28-27-30(14-10-15-31(25)27)24-20(3)16-19(2)17-21(24)4/h7-9,11-12,16-17H,6,10,13-15,18H2,1-5H3
PubChem CID46881384
ChEMBLCHEMBL1083822
IUPHARN/A
BindingDB50313992
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<5000.0 nMPMID20185312BindingDB,ChEMBL

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