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GPCR

NameNeuropeptide Y receptor type 4
SpeciesHomo sapiens (Human)
GeneNPY4R
SynonymNPY4-R
neuropeptide Y receptor type 4
pancreatic polypeptide receptor 1
PP1
Y4 receptor
DiseaseObesity
Diabetes
Schizophrenia
Length375
Amino acid sequenceMNTSHLLALLLPKSPQGENRSKPLGTPYNFSEHCQDSVDVMVFIVTSYSIETVVGVLGNLCLMCVTVRQKEKANVTNLLIANLAFSDFLMCLLCQPLTAVYTIMDYWIFGETLCKMSAFIQCMSVTVSILSLVLVALERHQLIINPTGWKPSISQAYLGIVLIWVIACVLSLPFLANSILENVFHKNHSKALEFLADKVVCTESWPLAHHRTIYTTFLLLFQYCLPLGFILVCYARIYRRLQRQGRVFHKGTYSLRAGHMKQVNVVLVVMVVAFAVLWLPLHVFNSLEDWHHEAIPICHGNLIFLVCHLLAMASTCVNPFIYGFLNTNFKKEIKALVLTCQQSAPLEESEHLPLSTVHTEVSKGSLRLSGRSNPI
UniProtP50391
Protein Data BankN/A
GPCR-HGmod modelP50391
3D structure modelThis predicted structure model is from GPCR-EXP P50391.
BioLiPN/A
Therapeutic Target DatabaseT27944
ChEMBLCHEMBL4877
IUPHAR307
DrugBankBE0002418

Ligand

NameCHEMBL2440119
Molecular formulaC33H54N12O8
IUPAC name(1R,2S)-2-[[(2S)-2-[[(2S,3R)-2-acetamido-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]cyclopentane-1-carboxamide
Molecular weight746.871
Hydrogen bond acceptor10
Hydrogen bond donor12
XlogP-2.9
SynonymsBDBM50441958
Inchi KeyDVFMZXMRSBGZSI-MPAKYALESA-N
Inchi IDInChI=1S/C33H54N12O8/c1-17(46)26(41-18(2)47)31(53)44-24(9-5-15-40-33(37)38)29(51)42-22-7-3-6-21(22)28(50)43-23(8-4-14-39-32(35)36)30(52)45-25(27(34)49)16-19-10-12-20(48)13-11-19/h10-13,17,21-26,46,48H,3-9,14-16H2,1-2H3,(H2,34,49)(H,41,47)(H,42,51)(H,43,50)(H,44,53)(H,45,52)(H4,35,36,39)(H4,37,38,40)/t17-,21-,22+,23+,24+,25+,26+/m1/s1
PubChem CID72711815
ChEMBLCHEMBL2440119
IUPHARN/A
BindingDB50441958
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC50451.0 nMPMID24090364BindingDB,ChEMBL
Emax59.0 %PMID24090364ChEMBL
Ki509.0 nMPMID24090364BindingDB,ChEMBL

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