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

NameVIP Ala11
Molecular formulaC146H236N44O41S
IUPAC name(3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-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]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid
Molecular weight3295.82
Hydrogen bond acceptor49
Hydrogen bond donor48
XlogP-14.4
SynonymsBDBM85887
Inchi KeyQHXACMIGCNSVHW-XRLVTTEQSA-N
Inchi IDInChI=1S/C146H236N44O41S/c1-18-75(12)115(143(230)182-97(56-72(6)7)132(219)174-94(117(155)204)61-108(152)197)189-140(227)106(68-192)186-136(223)102(63-110(154)199)179-133(220)96(55-71(4)5)176-134(221)99(59-82-39-43-85(195)44-40-82)177-126(213)88(33-23-26-49-148)169-124(211)89(34-24-27-50-149)173-141(228)113(73(8)9)187-119(206)77(14)164-122(209)93(47-53-232-17)172-128(215)92(45-46-107(151)196)171-123(210)87(32-22-25-48-147)168-125(212)91(36-29-52-162-146(158)159)170-131(218)95(54-70(2)3)175-127(214)90(35-28-51-161-145(156)157)167-118(205)76(13)165-129(216)98(58-81-37-41-84(194)42-38-81)178-135(222)101(62-109(153)198)180-137(224)104(65-112(202)203)184-144(231)116(79(16)193)190-138(225)100(57-80-30-20-19-21-31-80)183-142(229)114(74(10)11)188-120(207)78(15)166-130(217)103(64-111(200)201)181-139(226)105(67-191)185-121(208)86(150)60-83-66-160-69-163-83/h19-21,30-31,37-44,66,69-79,86-106,113-116,191-195H,18,22-29,32-36,45-65,67-68,147-150H2,1-17H3,(H2,151,196)(H2,152,197)(H2,153,198)(H2,154,199)(H2,155,204)(H,160,163)(H,164,209)(H,165,216)(H,166,217)(H,167,205)(H,168,212)(H,169,211)(H,170,218)(H,171,210)(H,172,215)(H,173,228)(H,174,219)(H,175,214)(H,176,221)(H,177,213)(H,178,222)(H,179,220)(H,180,224)(H,181,226)(H,182,230)(H,183,229)(H,184,231)(H,185,208)(H,186,223)(H,187,206)(H,188,207)(H,189,227)(H,190,225)(H,200,201)(H,202,203)(H4,156,157,161)(H4,158,159,162)/t75-,76-,77-,78-,79+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,113-,114-,115-,116-/m0/s1
PubChem CID91899029
ChEMBLN/A
IUPHARN/A
BindingDB85887
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
278767Vasoactive intestinal polypeptide receptor 2P41587VIPR2Homo sapiens (Human)438
278768Vasoactive intestinal polypeptide receptor 2P35000Vipr2Rattus norvegicus (Rat)437

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