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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 76313784
Molecular formulaC155H248N46O46
IUPAC name(2S)-6-amino-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,5S,8S,11S,20S)-20-[[(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]-8-(4-aminobutyl)-2-methyl-3,6,9,17,21-pentaoxo-5-propan-2-yl-1,4,7,10,16-pentazacyclohenicosane-11-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]hexanoic acid
Molecular weight3491.97
Hydrogen bond acceptor53
Hydrogen bond donor54
XlogP-17.7
SynonymsN/A
Inchi KeyFTEBEHTUXBXWJY-HBXFPQPYSA-N
Inchi IDInChI=1S/C155H248N46O46/c1-17-79(12)122(150(243)192-101(59-76(6)7)139(232)188-105(64-113(161)209)128(221)172-70-117(213)176-98(153(246)247)36-23-27-53-158)199-147(240)111(72-203)196-142(235)107(66-115(163)211)189-138(231)100(58-75(4)5)185-140(233)102(61-85-39-43-88(206)44-40-85)186-133(226)92-35-24-28-54-169-116(212)50-48-97(129(222)174-80(13)125(218)197-120(77(8)9)148(241)182-93(131(224)178-92)34-22-26-52-157)181-135(228)96(47-49-112(160)208)180-130(223)91(33-21-25-51-156)177-132(225)94(37-29-55-170-154(164)165)179-137(230)99(57-74(2)3)184-134(227)95(38-30-56-171-155(166)167)183-151(244)123(82(15)204)200-144(237)103(62-86-41-45-89(207)46-42-86)187-141(234)106(65-114(162)210)190-143(236)109(68-119(216)217)194-152(245)124(83(16)205)201-145(238)104(60-84-31-19-18-20-32-84)193-149(242)121(78(10)11)198-126(219)81(14)175-136(229)108(67-118(214)215)191-146(239)110(71-202)195-127(220)90(159)63-87-69-168-73-173-87/h18-20,31-32,39-46,69,73-83,90-111,120-124,202-207H,17,21-30,33-38,47-68,70-72,156-159H2,1-16H3,(H2,160,208)(H2,161,209)(H2,162,210)(H2,163,211)(H,168,173)(H,169,212)(H,172,221)(H,174,222)(H,175,229)(H,176,213)(H,177,225)(H,178,224)(H,179,230)(H,180,223)(H,181,228)(H,182,241)(H,183,244)(H,184,227)(H,185,233)(H,186,226)(H,187,234)(H,188,232)(H,189,231)(H,190,236)(H,191,239)(H,192,243)(H,193,242)(H,194,245)(H,195,220)(H,196,235)(H,197,218)(H,198,219)(H,199,240)(H,200,237)(H,201,238)(H,214,215)(H,216,217)(H,246,247)(H4,164,165,170)(H4,166,167,171)/t79-,80-,81-,82+,83+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,120-,121-,122-,123-,124-/m0/s1
PubChem CID76313784
ChEMBLCHEMBL3102924
IUPHARN/A
BindingDB50445107
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
EC500.1 nMPMID24900623ChEMBL
EC500.1 nMPMID24900623BindingDB

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