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GPCR

NameG-protein coupled receptor 182
SpeciesHomo sapiens (Human)
GeneGPR182
SynonymNOW
L1-R
GPR182
Gpcr22
Gpcr17
[ Show all ]
DiseaseN/A
Length404
Amino acid sequenceMSVKPSWGPGPSEGVTAVPTSDLGEIHNWTELLDLFNHTLSECHVELSQSTKRVVLFALYLAMFVVGLVENLLVICVNWRGSGRAGLMNLYILNMAIADLGIVLSLPVWMLEVTLDYTWLWGSFSCRFTHYFYFVNMYSSIFFLVCLSVDRYVTLTSASPSWQRYQHRVRRAMCAGIWVLSAIIPLPEVVHIQLVEGPEPMCLFMAPFETYSTWALAVALSTTILGFLLPFPLITVFNVLTACRLRQPGQPKSRRHCLLLCAYVAVFVMCWLPYHVTLLLLTLHGTHISLHCHLVHLLYFFYDVIDCFSMLHCVINPILYNFLSPHFRGRLLNAVVHYLPKDQTKAGTCASSSSCSTQHSIIITKGDSQPAAAAPHPEPSLSFQAHHLLPNTSPISPTQPLTPS
UniProtO15218
Protein Data BankN/A
GPCR-HGmod modelO15218
3D structure modelThis predicted structure model is from GPCR-EXP O15218.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4356
IUPHARN/A
DrugBankN/A

Ligand

NameNSC697164
Molecular formulaC26H30Cl4N8O2
IUPAC name3-[8-[4-amino-5-[(2,4-dichlorophenoxy)methyl]-1,2,4-triazol-3-yl]octyl]-5-[(2,4-dichlorophenoxy)methyl]-1,2,4-triazol-4-amine
Molecular weight628.38
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP7.1
SynonymsAC1L97GA
CTK8C9885
3-(8-(4-Amino-5-((2,4-dichlorophenoxy)methyl)-4H-1,2,4-triazol-3-yl)octyl)-5-((2,4-dichlorophenoxy)methyl)-4H-1,2,4-triazol-4-ylamine
NCI60_034633
3-[8-[4-amino-5-[(2,4-dichlorophenoxy)methyl]-1,2,4-triazol-3-yl]octyl]-5-[(2,4-dichlorophenoxy)methyl]-1,2,4-triazol-4-amine
[ Show all ]
Inchi KeyIUCBPPSDEQOVHN-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H30Cl4N8O2/c27-17-9-11-21(19(29)13-17)39-15-25-35-33-23(37(25)31)7-5-3-1-2-4-6-8-24-34-36-26(38(24)32)16-40-22-12-10-18(28)14-20(22)30/h9-14H,1-8,15-16,31-32H2
PubChem CID394046
ChEMBLCHEMBL195224
IUPHARN/A
BindingDBN/A
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
Affinity48.0 %PMID15943480ChEMBL

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