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GPCR

NameNeuropeptide Y receptor type 1
SpeciesHomo sapiens (Human)
GeneNPY1R
Synonymneuropeptide Y receptor type 1
NPY-Y1 receptor
NPY1-R
FC5
Y1 receptor
[ Show all ]
DiseaseHypertension; Obesity; Heart disease
Obesity
Eating disorders reduction in food intake obesity anxiety
Eating disorders reduction in food intake
Eating disorder
[ Show all ]
Length384
Amino acid sequenceMNSTLFSQVENHSVHSNFSEKNAQLLAFENDDCHLPLAMIFTLALAYGAVIILGVSGNLALIIIILKQKEMRNVTNILIVNLSFSDLLVAIMCLPFTFVYTLMDHWVFGEAMCKLNPFVQCVSITVSIFSLVLIAVERHQLIINPRGWRPNNRHAYVGIAVIWVLAVASSLPFLIYQVMTDEPFQNVTLDAYKDKYVCFDQFPSDSHRLSYTTLLLVLQYFGPLCFIFICYFKIYIRLKRRNNMMDKMRDNKYRSSETKRINIMLLSIVVAFAVCWLPLTIFNTVFDWNHQIIATCNHNLLFLLCHLTAMISTCVNPIFYGFLNKNFQRDLQFFFNFCDFRSRDDDYETIAMSTMHTDVSKTSLKQASPVAFKKINNNDDNEKI
UniProtP25929
Protein Data Bank5zbh
GPCR-HGmod modelP25929
3D structure modelThis structure is from PDB ID 5zbh.
BioLiPBL0411971
Therapeutic Target DatabaseT89213
ChEMBLCHEMBL4777
IUPHAR305
DrugBankN/A

Ligand

NameSMR000117962
Molecular formulaC24H25N5O4S
IUPAC nameN-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-1,2,5-thiadiazole-3-carboxamide
Molecular weight479.555
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM42417
N-[2-(cyclohexylamino)-2-keto-1-(4-pyridyl)ethyl]-N-piperonyl-1,2,5-thiadiazole-3-carboxamide
cid_3200707
REGID_for_CID_3200707
AC1MK95Z
[ Show all ]
Inchi KeyBGSVSADZEMUBIT-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H25N5O4S/c30-23(27-18-4-2-1-3-5-18)22(17-8-10-25-11-9-17)29(24(31)19-13-26-34-28-19)14-16-6-7-20-21(12-16)33-15-32-20/h6-13,18,22H,1-5,14-15H2,(H,27,30)
PubChem CID3200707
ChEMBLCHEMBL1609697
IUPHARN/A
BindingDB42417
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC5032170.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

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