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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

NameCID 76313780
Molecular formulaC177H272N52O55
IUPAC name(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-5-amino-1-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]oxy-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxopentanoic acid
Molecular weight4008.43
Hydrogen bond acceptor62
Hydrogen bond donor60
XlogP-15.6
SynonymsN/A
Inchi KeyFPGWYWNWNJBCPS-NGUHXVKZSA-N
Inchi IDInChI=1S/C177H272N52O55/c1-16-88(10)138(182)167(277)210-110(26-17-18-60-178)171(281)228-66-24-31-126(228)164(274)207-107(52-57-134(243)244)145(255)202-92(14)170(280)227-65-23-30-125(227)163(273)197-80-132(240)203-106(51-56-133(241)242)149(259)222-122(78-137(249)250)154(264)200-90(12)143(253)224-124(82-231)172(282)229-67-25-32-127(229)165(275)208-109(54-59-136(247)248)150(260)206-108(53-58-135(245)246)151(261)213-114(69-85(4)5)156(266)221-121(77-131(181)239)161(271)205-103(27-19-61-193-174(184)185)147(257)216-117(73-96-38-46-101(235)47-39-96)159(269)217-116(72-95-36-44-100(234)45-37-95)152(262)199-89(11)142(252)223-123(81-230)162(272)215-113(68-84(2)3)155(265)204-104(28-20-62-194-175(186)187)148(258)219-119(75-98-79-192-83-198-98)160(270)218-118(74-97-40-48-102(236)49-41-97)158(268)214-115(70-86(6)7)157(267)220-120(76-130(180)238)153(263)201-91(13)144(254)225-139(87(8)9)168(278)226-140(93(15)232)169(279)209-105(29-21-63-195-176(188)189)146(256)211-111(50-55-129(179)237)173(283)284-128(33-22-64-196-177(190)191)166(276)212-112(141(183)251)71-94-34-42-99(233)43-35-94/h34-49,79,83-93,103-128,138-140,230-236H,16-33,50-78,80-82,178,182H2,1-15H3,(H2,179,237)(H2,180,238)(H2,181,239)(H2,183,251)(H,192,198)(H,197,273)(H,199,262)(H,200,264)(H,201,263)(H,202,255)(H,203,240)(H,204,265)(H,205,271)(H,206,260)(H,207,274)(H,208,275)(H,209,279)(H,210,277)(H,211,256)(H,212,276)(H,213,261)(H,214,268)(H,215,272)(H,216,257)(H,217,269)(H,218,270)(H,219,258)(H,220,267)(H,221,266)(H,222,259)(H,223,252)(H,224,253)(H,225,254)(H,226,278)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H4,184,185,193)(H4,186,187,194)(H4,188,189,195)(H4,190,191,196)/t88-,89-,90-,91-,92-,93+,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,138-,139-,140-/m0/s1
PubChem CID76313780
ChEMBLCHEMBL3099722
IUPHARN/A
BindingDB50444588
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
EC50173.0 nMPMID24900634BindingDB,ChEMBL

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