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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

NameCHEMBL3040675
Molecular formulaC82H112N18O12
IUPAC nameN-[6-[[(Z)-[amino-[[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]amino]methylidene]carbamoyl]amino]hexyl]-N'-[2-[2-[[4-[6-[[(Z)-[amino-[[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]amino]methylidene]carbamoyl]amino]hexylamino]-4-oxobutanoyl]amino]ethyl-(2-aminoethyl)amino]ethyl]butanediamide
Molecular weight1541.91
Hydrogen bond acceptor14
Hydrogen bond donor17
XlogP5.2
SynonymsN/A
Inchi KeyMMMUXEOJIRAKHI-OQFFVEAFSA-N
Inchi IDInChI=1S/C82H112N18O12/c83-45-54-100(55-52-88-71(105)43-41-69(103)86-46-17-1-3-19-48-92-81(111)98-79(84)90-50-21-31-67(75(107)94-57-59-33-37-65(101)38-34-59)96-77(109)73(61-23-9-5-10-24-61)62-25-11-6-12-26-62)56-53-89-72(106)44-42-70(104)87-47-18-2-4-20-49-93-82(112)99-80(85)91-51-22-32-68(76(108)95-58-60-35-39-66(102)40-36-60)97-78(110)74(63-27-13-7-14-28-63)64-29-15-8-16-30-64/h5-16,23-30,33-40,67-68,73-74,101-102H,1-4,17-22,31-32,41-58,83H2,(H,86,103)(H,87,104)(H,88,105)(H,89,106)(H,94,107)(H,95,108)(H,96,109)(H,97,110)(H4,84,90,92,98,111)(H4,85,91,93,99,112)/t67-,68-/m1/s1
PubChem CID72205855
ChEMBLN/A
IUPHARN/A
BindingDB50442556
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.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki270.0 nMPMID24074877BindingDB

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