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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

NameCHEMBL3578016
Molecular formulaC143H215N39O28
IUPAC name(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-6-[6-[[(2S)-5-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-naphthalen-1-ylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]hexanoylamino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]pentanediamide
Molecular weight2928.54
Hydrogen bond acceptor34
Hydrogen bond donor41
XlogP2.0
SynonymsBDBM50089438
Inchi KeyCIWUKKQOWZYTKU-YUQUQSSBSA-N
Inchi IDInChI=1S/C143H215N39O28/c1-78(2)63-105(172-124(194)98(164-84(12)184)40-23-26-58-157-119(190)44-17-14-25-59-158-123(193)102(53-55-116(146)187)167-130(200)106(64-79(3)4)174-136(206)113(72-90-75-162-97-39-21-20-37-95(90)97)179-134(204)110(69-85-31-15-13-16-32-85)177-135(205)112(171-122(192)96(145)38-22-24-57-144)71-89-35-27-34-88-33-18-19-36-94(88)89)129(199)166-100(42-29-61-160-142(152)153)127(197)180-114(73-91-76-156-77-163-91)137(207)178-111(70-87-47-51-93(186)52-48-87)133(203)173-108(66-81(7)8)132(202)181-115(74-118(148)189)138(208)175-107(65-80(5)6)131(201)176-109(67-82(9)10)139(209)182-120(83(11)183)140(210)169-101(43-30-62-161-143(154)155)125(195)168-103(54-56-117(147)188)128(198)165-99(41-28-60-159-141(150)151)126(196)170-104(121(149)191)68-86-45-49-92(185)50-46-86/h13,15-16,18-21,27,31-37,39,45-52,75-83,96,98-115,120,162,183,185-186H,14,17,22-26,28-30,38,40-44,53-74,144-145H2,1-12H3,(H2,146,187)(H2,147,188)(H2,148,189)(H2,149,191)(H,156,163)(H,157,190)(H,158,193)(H,164,184)(H,165,198)(H,166,199)(H,167,200)(H,168,195)(H,169,210)(H,170,196)(H,171,192)(H,172,194)(H,173,203)(H,174,206)(H,175,208)(H,176,201)(H,177,205)(H,178,207)(H,179,204)(H,180,197)(H,181,202)(H,182,209)(H4,150,151,159)(H4,152,153,160)(H4,154,155,161)/t83-,96+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112-,113-,114+,115+,120+/m1/s1
PubChem CID122178187
ChEMBLCHEMBL3578016
IUPHARN/A
BindingDB50089438
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
Efficacy35.0 %PMID25905598ChEMBL

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