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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

NameCID 76310175
Molecular formulaC164H268N44O43
IUPAC name(2S)-6-amino-2-[[2-[[(2S,5S,8S,11S,16Z,22S)-22-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(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]-3-carboxypropanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-5-[(2S)-butan-2-yl]-2-(hydroxymethyl)-11,22-dimethyl-8-(2-methylpropyl)-3,6,9,23-tetraoxo-1,4,7,10-tetrazacyclotricos-16-ene-11-carbonyl]amino]acetyl]amino]hexanoic acid
Molecular weight3544.21
Hydrogen bond acceptor51
Hydrogen bond donor52
XlogP-9.4
SynonymsN/A
Inchi KeyBMSMGWAAQNGDHU-JFPSMZMISA-N
Inchi IDInChI=1S/C164H268N44O43/c1-21-90(13)128(154(244)182-93(16)133(223)201-126(88(9)10)152(242)188-105(48-34-40-66-167)136(226)185-104(47-33-39-65-166)138(228)192-113(74-97-52-56-100(213)57-53-97)143(233)191-111(71-86(5)6)150(240)208-164(20)63-37-28-26-24-23-25-27-36-62-163(19,159(250)179-81-123(217)183-109(158(248)249)49-35-41-67-168)207-151(241)112(72-87(7)8)196-155(245)129(91(14)22-2)204-149(239)120(83-210)200-160(164)251)203-140(230)108(60-61-121(170)215)187-135(225)103(46-32-38-64-165)184-137(227)106(50-42-68-177-161(172)173)186-142(232)110(70-85(3)4)190-139(229)107(51-43-69-178-162(174)175)189-156(246)130(94(17)211)205-146(236)114(75-98-54-58-101(214)59-55-98)193-144(234)116(77-122(171)216)194-145(235)118(79-125(220)221)198-157(247)131(95(18)212)206-147(237)115(73-96-44-30-29-31-45-96)197-153(243)127(89(11)12)202-132(222)92(15)181-141(231)117(78-124(218)219)195-148(238)119(82-209)199-134(224)102(169)76-99-80-176-84-180-99/h23-24,29-31,44-45,52-59,80,84-95,102-120,126-131,209-214H,21-22,25-28,32-43,46-51,60-79,81-83,165-169H2,1-20H3,(H2,170,215)(H2,171,216)(H,176,180)(H,179,250)(H,181,231)(H,182,244)(H,183,217)(H,184,227)(H,185,226)(H,186,232)(H,187,225)(H,188,242)(H,189,246)(H,190,229)(H,191,233)(H,192,228)(H,193,234)(H,194,235)(H,195,238)(H,196,245)(H,197,243)(H,198,247)(H,199,224)(H,200,251)(H,201,223)(H,202,222)(H,203,230)(H,204,239)(H,205,236)(H,206,237)(H,207,241)(H,208,240)(H,218,219)(H,220,221)(H,248,249)(H4,172,173,177)(H4,174,175,178)/b24-23-/t90-,91-,92-,93-,94+,95+,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,126-,127-,128-,129-,130-,131-,163-,164-/m0/s1
PubChem CID76310175
ChEMBLCHEMBL3105020
IUPHARN/A
BindingDB50445114
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
EC500.39 nMPMID24900623BindingDB,ChEMBL

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