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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

NameCHEMBL108673
Molecular formulaC20H27BrN4
IUPAC name5-(4-bromo-2-methylphenyl)-N-(dicyclopropylmethyl)-1-methyl-N-propyl-1,2,4-triazol-3-amine
Molecular weight403.368
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.6
SynonymsBDBM50107086
N-Propyl-N-(dicyclopropylmethyl)-1-methyl-5-(2-methyl-4-bromophenyl)-1H-1,2,4-triazole-3-amine
[5-(4-Bromo-2-methyl-phenyl)-1-methyl-1H-[1,2,4]triazol-3-yl]-dicyclopropylmethyl-propyl-amine
Inchi KeyBDJWEDZATUQOAA-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H27BrN4/c1-4-11-25(18(14-5-6-14)15-7-8-15)20-22-19(24(3)23-20)17-10-9-16(21)12-13(17)2/h9-10,12,14-15,18H,4-8,11H2,1-3H3
PubChem CID44337527
ChEMBLCHEMBL108673
IUPHARN/A
BindingDB50107086
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki10.0 nMPMID11720866BindingDB,ChEMBL

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