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 ●DMFold ●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

NameGlucagon-like peptide 2 receptor
SpeciesHomo sapiens (Human)
GeneGLP2R
SynonymGLP-2R
GLP-2-R
GLP-2 receptor
DiseaseDiarrhea
Gastrointestinal disease
Short bowel syndrome
Osteoporosis
Inflammatory bowel disease
Length553
Amino acid sequenceMKLGSSRAGPGRGSAGLLPGVHELPMGIPAPWGTSPLSFHRKCSLWAPGRPFLTLVLLVSIKQVTGSLLEETTRKWAQYKQACLRDLLKEPSGIFCNGTFDQYVCWPHSSPGNVSVPCPSYLPWWSEESSGRAYRHCLAQGTWQTIENATDIWQDDSECSENHSFKQNVDRYALLSTLQLMYTVGYSFSLISLFLALTLLLFLRKLHCTRNYIHMNLFASFILRTLAVLVKDVVFYNSYSKRPDNENGWMSYLSEMSTSCRSVQVLLHYFVGANYLWLLVEGLYLHTLLEPTVLPERRLWPRYLLLGWAFPVLFVVPWGFARAHLENTGCWTTNGNKKIWWIIRGPMMLCVTVNFFIFLKILKLLISKLKAHQMCFRDYKYRLAKSTLVLIPLLGVHEILFSFITDDQVEGFAKLIRLFIQLTLSSFHGFLVALQYGFANGEVKAELRKYWVRFLLARHSGCRACVLGKDFRFLGKCPKKLSEGDGAEKLRKLQPSLNSGRLLHLAMRGLGELGAQPQQDHARWPRGSSLSECSEGDVTMANTMEEILEESEI
UniProtO95838
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseT34843
ChEMBLCHEMBL5844
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL3823681
Molecular formulaC140H211N39O45S
IUPAC name(4S)-5-[[(2S)-1-[[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoic acid
Molecular weight3192.52
Hydrogen bond acceptor49
Hydrogen bond donor46
XlogP-11.3
SynonymsBDBM50183900
Inchi KeyMOUCZOWNQBZTNK-ACXODTFVSA-N
Inchi IDInChI=1S/C140H211N39O45S/c1-17-67(10)110(136(221)159-80(114(146)199)36-38-99(142)183)176-131(216)86(45-66(8)9)164-125(210)89(48-75-57-151-79-34-27-26-33-77(75)79)167-127(212)91(51-101(144)185)174-137(222)111(68(11)18-2)177-132(217)88(47-74-31-24-21-25-32-74)165-129(214)95(55-108(195)196)170-119(204)81(35-28-41-150-140(147)148)160-116(201)71(14)155-115(200)70(13)156-122(207)84(43-64(4)5)163-126(211)90(50-100(143)184)169-130(215)96(56-109(197)198)171-123(208)85(44-65(6)7)173-138(223)112(69(12)19-3)178-139(224)113(72(15)182)179-133(218)92(52-102(145)186)168-121(206)83(40-42-225-16)162-120(205)82(37-39-105(189)190)161-128(213)94(54-107(193)194)172-135(220)98(62-181)175-124(209)87(46-73-29-22-20-23-30-73)166-134(219)97(61-180)158-104(188)60-153-118(203)93(53-106(191)192)157-103(187)59-152-117(202)78(141)49-76-58-149-63-154-76/h20-27,29-34,57-58,63-72,78,80-98,110-113,151,180-182H,17-19,28,35-56,59-62,141H2,1-16H3,(H2,142,183)(H2,143,184)(H2,144,185)(H2,145,186)(H2,146,199)(H,149,154)(H,152,202)(H,153,203)(H,155,200)(H,156,207)(H,157,187)(H,158,188)(H,159,221)(H,160,201)(H,161,213)(H,162,205)(H,163,211)(H,164,210)(H,165,214)(H,166,219)(H,167,212)(H,168,206)(H,169,215)(H,170,204)(H,171,208)(H,172,220)(H,173,223)(H,174,222)(H,175,209)(H,176,216)(H,177,217)(H,178,224)(H,179,218)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H,197,198)(H4,147,148,150)/t67-,68-,69-,70-,71-,72+,78-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,110-,111-,112-,113-/m0/s1
PubChem CID127049900
ChEMBLCHEMBL3823681
IUPHARN/A
BindingDB50183900
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
EC501.1 nMPMID26986178BindingDB,ChEMBL
Ratio EC5012.0 -PMID26986178ChEMBL

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218