Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

You can:

GPCR

NameNeuropeptide Y receptor type 2
SpeciesHomo sapiens (Human)
GeneNPY2R
SynonymNPY2-R
NPY-Y2 receptor
neuropeptide Y receptor type 2
Y2 receptor
DiseaseDiabetes
Metabolic disorders
Obesity
Length381
Amino acid sequenceMGPIGAEADENQTVEEMKVEQYGPQTTPRGELVPDPEPELIDSTKLIEVQVVLILAYCSIILLGVIGNSLVIHVVIKFKSMRTVTNFFIANLAVADLLVNTLCLPFTLTYTLMGEWKMGPVLCHLVPYAQGLAVQVSTITLTVIALDRHRCIVYHLESKISKRISFLIIGLAWGISALLASPLAIFREYSLIEIIPDFEIVACTEKWPGEEKSIYGTVYSLSSLLILYVLPLGIISFSYTRIWSKLKNHVSPGAANDHYHQRRQKTTKMLVCVVVVFAVSWLPLHAFQLAVDIDSQVLDLKEYKLIFTVFHIIAMCSTFANPLLYGWMNSNYRKAFLSAFRCEQRLDAIHSEVSVTFKAKKNLEVRKNSGPNDSFTEATNV
UniProtP49146
Protein Data BankN/A
GPCR-HGmod modelP49146
3D structure modelThis predicted structure model is from GPCR-EXP P49146.
BioLiPN/A
Therapeutic Target DatabaseT10670
ChEMBLCHEMBL4018
IUPHAR306
DrugBankBE0002419

Ligand

NameNeuropeptide Y(NPY)(13-36)
Molecular formulaC135H208N40O37
IUPAC name(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-carbamimidamido-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-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]-1-oxopropan-2-yl]amino]-3-hydroxy-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-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxo-4-[[(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoic acid
Molecular weight2983.39
Hydrogen bond acceptor43
Hydrogen bond donor48
XlogP-5.9
SynonymsBDBM50034125
Pro-Ala-Glu-Asp-Leu-Ala-Arg-tyr-Tyr-Ser-Ala-Leu-Arg-His-Tyr-Ile-Asn-Leu-Ile-Thr-Arg-Gln-Arg-Tyr
Inchi KeyBJKPGURDHQQYOX-QGTLAHJGSA-N
Inchi IDInChI=1S/C135H208N40O37/c1-15-68(9)105(128(208)170-97(60-102(137)183)123(203)164-92(54-67(7)8)125(205)174-106(69(10)16-2)129(209)175-107(73(14)177)130(210)161-87(26-21-51-151-135(144)145)112(192)160-88(43-45-101(136)182)116(196)158-86(25-20-50-150-134(142)143)115(195)171-99(131(211)212)58-77-33-41-82(181)42-34-77)173-126(206)95(57-76-31-39-81(180)40-32-76)167-122(202)96(59-78-62-146-64-152-78)168-114(194)85(24-19-49-149-133(140)141)159-119(199)91(53-66(5)6)162-110(190)72(13)155-127(207)100(63-176)172-121(201)94(56-75-29-37-80(179)38-30-75)166-120(200)93(55-74-27-35-79(178)36-28-74)165-113(193)84(23-18-48-148-132(138)139)156-108(188)71(12)154-118(198)90(52-65(3)4)163-124(204)98(61-104(186)187)169-117(197)89(44-46-103(184)185)157-109(189)70(11)153-111(191)83-22-17-47-147-83/h27-42,62,64-73,83-100,105-107,147,176-181H,15-26,43-61,63H2,1-14H3,(H2,136,182)(H2,137,183)(H,146,152)(H,153,191)(H,154,198)(H,155,207)(H,156,188)(H,157,189)(H,158,196)(H,159,199)(H,160,192)(H,161,210)(H,162,190)(H,163,204)(H,164,203)(H,165,193)(H,166,200)(H,167,202)(H,168,194)(H,169,197)(H,170,208)(H,171,195)(H,172,201)(H,173,206)(H,174,205)(H,175,209)(H,184,185)(H,186,187)(H,211,212)(H4,138,139,148)(H4,140,141,149)(H4,142,143,150)(H4,144,145,151)/t68-,69-,70-,71-,72-,73+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,105-,106-,107-/m0/s1
PubChem CID91929182
ChEMBLCHEMBL265849
IUPHARN/A
BindingDB50034125
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
Ki0.8 nMPMID8426366BindingDB,ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417