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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 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
Ki4.7 nMPMID12388623BindingDB
Ki6.8 nMPMID12388623BindingDB
Ki7.9 nMPMID12388623BindingDB
Ki3000.0 nMPMID12388623BindingDB

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