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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

NameBDBM81828
Molecular formulaC147H237N43O43S
IUPAC name4-amino-2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[[6-amino-2-[[6-amino-2-[[2-[2-[[2-[[5-amino-2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[[2-[2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]propanoylamino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoylamino]-3-methylbutanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid
Molecular weight3326.83
Hydrogen bond acceptor51
Hydrogen bond donor49
XlogP-16.6
SynonymsCAS_37221-79-7
VIP(4-28)
Inchi KeyVBUWHHLIZKOSMS-UHFFFAOYSA-N
Inchi IDInChI=1S/C147H237N43O43S/c1-18-75(12)115(142(229)180-96(56-72(6)7)131(218)183-104(145(232)233)63-110(155)200)188-139(226)106(68-192)185-134(221)101(62-109(154)199)177-130(217)95(55-71(4)5)174-132(219)97(58-81-37-41-84(195)42-38-81)175-125(212)88(33-23-26-49-149)167-123(210)89(34-24-27-50-150)171-140(227)113(73(8)9)186-118(205)76(13)164-121(208)93(47-53-234-17)170-127(214)92(45-46-107(152)197)169-122(209)87(32-22-25-48-148)166-124(211)90(35-28-51-161-146(156)157)168-129(216)94(54-70(2)3)173-126(213)91(36-29-52-162-147(158)159)172-143(230)116(78(15)193)189-136(223)98(59-82-39-43-85(196)44-40-82)176-133(220)100(61-108(153)198)178-135(222)103(65-112(203)204)182-144(231)117(79(16)194)190-137(224)99(57-80-30-20-19-21-31-80)181-141(228)114(74(10)11)187-119(206)77(14)165-128(215)102(64-111(201)202)179-138(225)105(67-191)184-120(207)86(151)60-83-66-160-69-163-83/h19-21,30-31,37-44,66,69-79,86-106,113-117,191-196H,18,22-29,32-36,45-65,67-68,148-151H2,1-17H3,(H2,152,197)(H2,153,198)(H2,154,199)(H2,155,200)(H,160,163)(H,164,208)(H,165,215)(H,166,211)(H,167,210)(H,168,216)(H,169,209)(H,170,214)(H,171,227)(H,172,230)(H,173,213)(H,174,219)(H,175,212)(H,176,220)(H,177,217)(H,178,222)(H,179,225)(H,180,229)(H,181,228)(H,182,231)(H,183,218)(H,184,207)(H,185,221)(H,186,205)(H,187,206)(H,188,226)(H,189,223)(H,190,224)(H,201,202)(H,203,204)(H,232,233)(H4,156,157,161)(H4,158,159,162)
PubChem CID91898389
ChEMBLN/A
IUPHAR1152
BindingDB81828
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
EC500.5 nMPMID10801840IUPHAR
EC500.63 nMPMID16930633IUPHAR
EC503.0 nMPMID11931347IUPHAR
EC5014.0 nMPMID9152366IUPHAR
EC5015.0 nMPMID10570056IUPHAR
EC5050.9 nMPMID16930633IUPHAR
IC503.0 nMPMID9928018, PMID10570056IUPHAR
IC505.0 nMPMID9437714IUPHAR
IC5010.0 nMPMID9726637IUPHAR
IC5020.0 nMPMID11931347IUPHAR
Ki1.7 nMPMID10801840IUPHAR
Ki1.8 nMPMID9454823IUPHAR
Ki2.1 nMPMID12388623BindingDB
Ki5.3 nMPMID12388623BindingDB
Ki6.9 nMPMID12388623BindingDB
Ki16.0 nMPMID9152366IUPHAR

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