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 Ala6
Molecular formulaC141H234N44O42S
IUPAC name(3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(3R)-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]-3-hydroxy-1-oxobutan-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-oxopropan-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 weight3249.75
Hydrogen bond acceptor50
Hydrogen bond donor49
XlogP-16.6
SynonymsBDBM85879
Inchi KeyCPQDWNJOPSVXBP-FMXUWGIDSA-N
Inchi IDInChI=1S/C141H234N44O42S/c1-19-70(12)109(137(225)177-92(52-67(6)7)126(214)169-89(112(150)200)56-102(147)193)183-134(222)100(63-187)180-130(218)96(58-104(149)195)174-127(215)91(51-66(4)5)171-128(216)93(53-76-33-37-79(190)38-34-76)172-121(209)83(29-21-24-45-143)163-119(207)84(30-22-25-46-144)167-136(224)108(69(10)11)182-113(201)71(13)159-117(205)88(43-49-228-18)166-123(211)87(41-42-101(146)192)165-118(206)82(28-20-23-44-142)162-120(208)85(31-26-47-156-140(151)152)164-125(213)90(50-65(2)3)170-122(210)86(32-27-48-157-141(153)154)168-138(226)111(75(17)189)185-132(220)94(54-77-35-39-80(191)40-36-77)173-129(217)95(57-103(148)194)175-131(219)98(60-106(198)199)178-139(227)110(74(16)188)184-115(203)73(15)161-135(223)107(68(8)9)181-114(202)72(14)160-124(212)97(59-105(196)197)176-133(221)99(62-186)179-116(204)81(145)55-78-61-155-64-158-78/h33-40,61,64-75,81-100,107-111,186-191H,19-32,41-60,62-63,142-145H2,1-18H3,(H2,146,192)(H2,147,193)(H2,148,194)(H2,149,195)(H2,150,200)(H,155,158)(H,159,205)(H,160,212)(H,161,223)(H,162,208)(H,163,207)(H,164,213)(H,165,206)(H,166,211)(H,167,224)(H,168,226)(H,169,214)(H,170,210)(H,171,216)(H,172,209)(H,173,217)(H,174,215)(H,175,219)(H,176,221)(H,177,225)(H,178,227)(H,179,204)(H,180,218)(H,181,202)(H,182,201)(H,183,222)(H,184,203)(H,185,220)(H,196,197)(H,198,199)(H4,151,152,156)(H4,153,154,157)/t70-,71-,72-,73-,74+,75+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,107-,108-,109-,110-,111?/m0/s1
PubChem CID91899022
ChEMBLN/A
IUPHARN/A
BindingDB85879
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
47591Vasoactive intestinal polypeptide receptor 2P41587VIPR2Homo sapiens (Human)438
47592Vasoactive intestinal polypeptide receptor 2P35000Vipr2Rattus norvegicus (Rat)437

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