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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

NameCHEMBL182624
Molecular formulaC24H33BrN4O
IUPAC name1-(2-bromo-4-propan-2-ylphenyl)-N-(cyclopropylmethyl)-6-ethyl-N-propyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide
Molecular weight473.459
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.8
SynonymsSCHEMBL5379094
BDBM50169572
7-(2-Bromo-4-isopropyl-phenyl)-2-ethyl-6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-carboxylic acid cyclopropylmethyl-propyl-amide
Inchi KeyAHFGQJRGKXTSDO-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H33BrN4O/c1-5-11-27(15-17-7-8-17)23(30)22-20(6-2)26-24-28(12-13-29(22)24)21-10-9-18(16(3)4)14-19(21)25/h9-10,14,16-17H,5-8,11-13,15H2,1-4H3
PubChem CID20780024
ChEMBLCHEMBL182624
IUPHARN/A
BindingDB50169572
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1559.0 nMPMID15990298BindingDB,ChEMBL

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