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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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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

NamePP31-36, HUMAN
Molecular formulaC36H61N13O8
IUPAC name(2S)-N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carboxamide
Molecular weight803.967
Hydrogen bond acceptor11
Hydrogen bond donor12
XlogP-2.8
SynonymsBDBM82295
Inchi KeyCVPBNLLMKFENDY-GGRDWNQISA-N
Inchi IDInChI=1S/C36H61N13O8/c1-19(2)17-23(37)30(53)48-28(20(3)50)33(56)46-25(8-5-15-44-36(41)42)34(57)49-16-6-9-27(49)32(55)45-24(7-4-14-43-35(39)40)31(54)47-26(29(38)52)18-21-10-12-22(51)13-11-21/h10-13,19-20,23-28,50-51H,4-9,14-18,37H2,1-3H3,(H2,38,52)(H,45,55)(H,46,56)(H,47,54)(H,48,53)(H4,39,40,43)(H4,41,42,44)/t20-,23+,24+,25+,26+,27+,28+/m1/s1
PubChem CID13858266
ChEMBLN/A
IUPHARN/A
BindingDB82295
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki346.0 nMPMID7592911BindingDB

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