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:

Ligand

NameCID 71455345
Molecular formulaC156H242N40O53S
IUPAC name(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-3-carboxypropanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]butanedioic acid
Molecular weight3557.94
Hydrogen bond acceptor57
Hydrogen bond donor52
XlogP-14.1
SynonymsN/A
Inchi KeyMYKFSDGCGNRIEA-KXTJMAPWSA-N
Inchi IDInChI=1S/C156H242N40O53S/c1-21-73(11)119(148(241)175-90(44-46-108(159)202)133(226)194-123(79(17)199)152(245)174-88(42-33-34-49-157)132(225)190-122(76(14)24-4)151(244)196-124(80(18)200)153(246)188-105(155(248)249)65-118(217)218)191-143(236)95(54-72(9)10)177-137(230)98(57-84-66-166-87-41-32-31-40-85(84)87)180-139(232)100(60-110(161)204)187-149(242)120(74(12)22-2)192-144(237)97(56-83-38-29-26-30-39-83)178-141(234)103(63-116(213)214)183-129(222)89(43-35-50-165-156(163)164)171-127(220)78(16)168-126(219)77(15)169-134(227)93(52-70(5)6)176-138(231)99(59-109(160)203)182-142(235)104(64-117(215)216)184-135(228)94(53-71(7)8)186-150(243)121(75(13)23-3)193-154(247)125(81(19)201)195-145(238)101(61-111(162)205)181-131(224)92(48-51-250-20)173-130(223)91(45-47-113(207)208)172-140(233)102(62-115(211)212)185-147(240)107(69-198)189-136(229)96(55-82-36-27-25-28-37-82)179-146(239)106(68-197)170-112(206)67-167-128(221)86(158)58-114(209)210/h25-32,36-41,66,70-81,86,88-107,119-125,166,197-201H,21-24,33-35,42-65,67-69,157-158H2,1-20H3,(H2,159,202)(H2,160,203)(H2,161,204)(H2,162,205)(H,167,221)(H,168,219)(H,169,227)(H,170,206)(H,171,220)(H,172,233)(H,173,223)(H,174,245)(H,175,241)(H,176,231)(H,177,230)(H,178,234)(H,179,239)(H,180,232)(H,181,224)(H,182,235)(H,183,222)(H,184,228)(H,185,240)(H,186,243)(H,187,242)(H,188,246)(H,189,229)(H,190,225)(H,191,236)(H,192,237)(H,193,247)(H,194,226)(H,195,238)(H,196,244)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H,217,218)(H,248,249)(H4,163,164,165)/t73-,74-,75-,76-,77-,78-,79+,80+,81+,86-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,119-,120-,121-,122-,123-,124-,125-/m0/s1
PubChem CID71455345
ChEMBLCHEMBL2177394
IUPHARN/A
BindingDB50398385
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.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
217177Glucagon-like peptide 2 receptorO95838GLP2RHomo sapiens (Human)553

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