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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

NameCHEMBL427527
Molecular formulaC27H26F8N4
IUPAC nameN-(cyclopropylmethyl)-2,2,3,3,3-pentafluoro-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]propan-1-amine
Molecular weight558.52
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP8.4
SynonymsBDBM50169523
Cyclopropylmethyl-(2,2,3,3,3-pentafluoro-propyl)-[2-trifluoromethyl-9-(2,4,6-trimethyl-phenyl)-9H-benzo[d]imidazo[1,2-a]imidazol-3-ylmethyl]-amine
SCHEMBL14446543
Inchi KeyAUMRIJMIWHTOMW-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H26F8N4/c1-15-10-16(2)22(17(3)11-15)39-20-7-5-4-6-19(20)38-21(23(26(30,31)32)36-24(38)39)13-37(12-18-8-9-18)14-25(28,29)27(33,34)35/h4-7,10-11,18H,8-9,12-14H2,1-3H3
PubChem CID20780065
ChEMBLCHEMBL427527
IUPHARN/A
BindingDB50169523
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
Ki34.0 nMPMID15982881BindingDB,ChEMBL

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