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

NameVasoactive intestinal polypeptide receptor 2
SpeciesRattus norvegicus (Rat)
GeneVipr2
SynonymVIP-R-2
VIP and PACAP receptor 2
PVR3
Pituitary adenylate cyclase-activating polypeptide type III receptor
PACAP-R3
[ Show all ]
DiseaseN/A for non-human GPCRs
Length437
Amino acid sequenceMRASVVLTCYCWLLVRVSSIHPECRFHLEIQEEETKCAELLSSQMENHRACSGVWDNITCWRPADIGETVTVPCPKVFSNFYSRPGNISKNCTSDGWSETFPDFIDACGYNDPEDESKITFYILVKAIYTLGYSVSLMSLTTGSIIICLFRKLHCTRNYIHLNLFLSFMLRAISVLVKDSVLYSSSGTLRCHDQPGSWVGCKLSLVFFQYCIMANFYWLLVEGLYLHTLLVAILPPSRCFLAYLLIGWGIPSVCIGAWIATRLSLEDTGCWDTNDHSIPWWVIRMPILISIVVNFALFISIVRILLQKLTSPDVGGNDQSQYKRLAKSTLLLIPLFGVHYMVFAAFPIGISSTYQILFELCVGSFQGLVVAVLYCFLNSEVQCELKRRWRGLCLTQPGSRDYRLHSWSMSRNGSESALQIHRGSRTQSFLQSETSVI
UniProtP35000
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLN/A
IUPHAR372
DrugBankN/A

Ligand

NameVIP Ala12
Molecular formulaC144H231N41O42S
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]-1-oxopropan-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-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 weight3240.74
Hydrogen bond acceptor49
Hydrogen bond donor47
XlogP-13.8
SynonymsBDBM85876
Inchi KeyLIARCVJTTMIZIS-MFXHDXCUSA-N
Inchi IDInChI=1S/C144H231N41O42S/c1-19-73(12)113(141(225)176-95(54-70(6)7)129(213)168-92(116(153)200)59-106(150)193)183-138(222)104(66-187)180-133(217)100(61-108(152)195)173-130(214)94(53-69(4)5)170-131(215)96(56-80-36-40-83(190)41-37-80)171-125(209)87(33-24-27-48-146)163-123(207)88(34-25-28-49-147)167-139(223)111(71(8)9)181-118(202)75(14)159-121(205)91(46-51-228-18)166-126(210)90(44-45-105(149)192)165-122(206)86(32-23-26-47-145)162-124(208)89(35-29-50-157-144(154)155)164-128(212)93(52-68(2)3)169-117(201)74(13)161-142(226)114(77(16)188)184-135(219)97(57-81-38-42-84(191)43-39-81)172-132(216)99(60-107(151)194)174-134(218)102(63-110(198)199)178-143(227)115(78(17)189)185-136(220)98(55-79-30-21-20-22-31-79)177-140(224)112(72(10)11)182-119(203)76(15)160-127(211)101(62-109(196)197)175-137(221)103(65-186)179-120(204)85(148)58-82-64-156-67-158-82/h20-22,30-31,36-43,64,67-78,85-104,111-115,186-191H,19,23-29,32-35,44-63,65-66,145-148H2,1-18H3,(H2,149,192)(H2,150,193)(H2,151,194)(H2,152,195)(H2,153,200)(H,156,158)(H,159,205)(H,160,211)(H,161,226)(H,162,208)(H,163,207)(H,164,212)(H,165,206)(H,166,210)(H,167,223)(H,168,213)(H,169,201)(H,170,215)(H,171,209)(H,172,216)(H,173,214)(H,174,218)(H,175,221)(H,176,225)(H,177,224)(H,178,227)(H,179,204)(H,180,217)(H,181,202)(H,182,203)(H,183,222)(H,184,219)(H,185,220)(H,196,197)(H,198,199)(H4,154,155,157)/t73-,74-,75-,76-,77+,78+,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,111-,112-,113-,114?,115-/m0/s1
PubChem CID91899019
ChEMBLN/A
IUPHARN/A
BindingDB85876
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
Ki25.1 nMPMID12388623BindingDB
Ki251.0 nMPMID12388623BindingDB

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