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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

NameNSC697167
Molecular formulaC46H46N8O4
IUPAC name2-[[4-anilino-5-[8-[4-anilino-5-[(1-hydroxynaphthalen-2-yl)oxymethyl]-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]methoxy]naphthalen-1-ol
Molecular weight774.926
Hydrogen bond acceptor10
Hydrogen bond donor4
XlogP10.8
Synonyms1-naphthalenol, 2,2'-[1,8-octanediylbis[[4-(phenylamino)-4h-1,2,4-triazole-5,3-diyl]methyleneoxy]]bis-
NCI60_034636
2-[[4-anilino-5-[8-[4-anilino-5-[(1-hydroxynaphthalen-2-yl)oxymethyl]-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]methoxy]naphthalen-1-ol
CHEMBL194665
2-((4-Anilino-5-(8-(4-anilino-5-(((1-hydroxy-2-naphthyl)oxy)methyl)-4H-1,2,4-triazol-3-yl)octyl)-4H-1,2,4-triazol-3-yl)methoxy)-1-naphthol
[ Show all ]
Inchi KeyUVKTWWXWFPPPED-UHFFFAOYSA-N
Inchi IDInChI=1S/C46H46N8O4/c55-45-37-23-15-13-17-33(37)27-29-39(45)57-31-43-49-47-41(53(43)51-35-19-7-5-8-20-35)25-11-3-1-2-4-12-26-42-48-50-44(54(42)52-36-21-9-6-10-22-36)32-58-40-30-28-34-18-14-16-24-38(34)46(40)56/h5-10,13-24,27-30,51-52,55-56H,1-4,11-12,25-26,31-32H2
PubChem CID394049
ChEMBLCHEMBL194665
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
Affinity83.0 %PMID15943480ChEMBL

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