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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

NameNSC697166
Molecular formulaC38H40Cl2N8O2
IUPAC name3-[8-[4-anilino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]octyl]-5-[(4-chlorophenoxy)methyl]-N-phenyl-1,2,4-triazol-4-amine
Molecular weight711.692
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP10.3
SynonymsNCI60_034635
4H-1,4-Triazol-4-amine, 3,3'-(1,8-octanediyl)bis[5-[(4-chlorophenoxy)methyl]- N-phenyl-
CHEMBL195851
NSC-697166
AC1L97GG
[ Show all ]
Inchi KeyRQIVURUKFMFAAP-UHFFFAOYSA-N
Inchi IDInChI=1S/C38H40Cl2N8O2/c39-29-19-23-33(24-20-29)49-27-37-43-41-35(47(37)45-31-13-7-5-8-14-31)17-11-3-1-2-4-12-18-36-42-44-38(28-50-34-25-21-30(40)22-26-34)48(36)46-32-15-9-6-10-16-32/h5-10,13-16,19-26,45-46H,1-4,11-12,17-18,27-28H2
PubChem CID394048
ChEMBLCHEMBL195851
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
Affinity51.0 %PMID15943480ChEMBL

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