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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

NameCHEMBL113653
Molecular formulaC26H34N2
IUPAC nameN-butyl-2-methyl-N-propyl-8-(2,4,6-trimethylphenyl)quinolin-4-amine
Molecular weight374.572
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP7.6
SynonymsBDBM50132971
Butyl-[2-methyl-8-(2,4,6-trimethyl-phenyl)-quinolin-4-yl]-propyl-amine
N-Butyl-N-propyl-2-methyl-8-(2,4,6-trimethylphenyl)quinoline-4-amine
Inchi KeyBAXLMZUAHKAOIB-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H34N2/c1-7-9-14-28(13-8-2)24-17-21(6)27-26-22(24)11-10-12-23(26)25-19(4)15-18(3)16-20(25)5/h10-12,15-17H,7-9,13-14H2,1-6H3
PubChem CID44341765
ChEMBLCHEMBL113653
IUPHARN/A
BindingDB50132971
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki3.0 nMPMID12951129BindingDB,ChEMBL

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