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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 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.

Experimental Data

ParameterValueReferenceDatabase source
Ki0.63 nMPMID12388623BindingDB
Ki3.9 nMPMID12388623BindingDB
Ki1514.0 nMPMID12388623BindingDB
Ki3000.0 nMPMID12388623BindingDB

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