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GPCR

NameVasoactive intestinal polypeptide receptor 2
SpeciesHomo sapiens (Human)
GeneVIPR2
SynonymVPAC2
VIP-R-2
VIP and PACAP receptor 2
PVR3
Pituitary adenylate cyclase-activating polypeptide type III receptor
[ Show all ]
DiseaseUnspecified
Chronic obstructive pulmonary disease
Hypertension
Length438
Amino acid sequenceMRTLLPPALLTCWLLAPVNSIHPECRFHLEIQEEETKCAELLRSQTEKHKACSGVWDNITCWRPANVGETVTVPCPKVFSNFYSKAGNISKNCTSDGWSETFPDFVDACGYSDPEDESKITFYILVKAIYTLGYSVSLMSLATGSIILCLFRKLHCTRNYIHLNLFLSFILRAISVLVKDDVLYSSSGTLHCPDQPSSWVGCKLSLVFLQYCIMANFFWLLVEGLYLHTLLVAMLPPRRCFLAYLLIGWGLPTVCIGAWTAARLYLEDTGCWDTNDHSVPWWVIRIPILISIIVNFVLFISIIRILLQKLTSPDVGGNDQSQYKRLAKSTLLLIPLFGVHYMVFAVFPISISSKYQILFELCLGSFQGLVVAVLYCFLNSEVQCELKRKWRSRCPTPSASRDYRVCGSSFSRNGSEGALQFHRGSRAQSFLQTETSVI
UniProtP41587
Protein Data BankN/A
GPCR-HGmod modelP41587
3D structure modelThis predicted structure model is from GPCR-EXP P41587.
BioLiPN/A
Therapeutic Target DatabaseT06182
ChEMBLCHEMBL4532
IUPHAR372
DrugBankN/A

Ligand

NameVIP Ala3
Molecular formulaC146H238N44O40S
IUPAC name(3S)-4-[[(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-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoic acid
Molecular weight3281.84
Hydrogen bond acceptor48
Hydrogen bond donor48
XlogP-11.8
SynonymsBDBM85921
Inchi KeyLDVDECWNNLCVQJ-LIPBRQCSSA-N
Inchi IDInChI=1S/C146H238N44O40S/c1-19-75(12)114(142(228)181-98(57-72(6)7)130(216)174-95(117(155)203)62-108(152)198)188-139(225)106(68-192)185-134(220)103(64-110(154)200)179-131(217)97(56-71(4)5)176-132(218)99(59-82-38-42-85(195)43-39-82)177-126(212)89(34-24-27-50-148)168-124(210)90(35-25-28-51-149)172-140(226)112(73(8)9)186-120(206)78(15)165-122(208)94(48-54-231-18)171-128(214)93(46-47-107(151)197)170-123(209)88(33-23-26-49-147)167-125(211)91(36-29-52-161-145(156)157)169-129(215)96(55-70(2)3)175-127(213)92(37-30-53-162-146(158)159)173-143(229)115(79(16)193)189-136(222)100(60-83-40-44-86(196)45-41-83)178-133(219)102(63-109(153)199)180-135(221)104(65-111(201)202)183-144(230)116(80(17)194)190-137(223)101(58-81-31-21-20-22-32-81)182-141(227)113(74(10)11)187-119(205)77(14)164-118(204)76(13)166-138(224)105(67-191)184-121(207)87(150)61-84-66-160-69-163-84/h20-22,31-32,38-45,66,69-80,87-106,112-116,191-196H,19,23-30,33-37,46-65,67-68,147-150H2,1-18H3,(H2,151,197)(H2,152,198)(H2,153,199)(H2,154,200)(H2,155,203)(H,160,163)(H,164,204)(H,165,208)(H,166,224)(H,167,211)(H,168,210)(H,169,215)(H,170,209)(H,171,214)(H,172,226)(H,173,229)(H,174,216)(H,175,213)(H,176,218)(H,177,212)(H,178,219)(H,179,217)(H,180,221)(H,181,228)(H,182,227)(H,183,230)(H,184,207)(H,185,220)(H,186,206)(H,187,205)(H,188,225)(H,189,222)(H,190,223)(H,201,202)(H4,156,157,161)(H4,158,159,162)/t75-,76-,77-,78-,79+,80+,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,112-,113-,114-,115?,116-/m0/s1
PubChem CID91899053
ChEMBLN/A
IUPHARN/A
BindingDB85921
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
Ki977.0 nMPMID12388623BindingDB
Ki1148.0 nMPMID12388623BindingDB
Ki2420.0 nMPMID12388623BindingDB

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