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GPCR

NameVasoactive intestinal polypeptide receptor 1
SpeciesHomo sapiens (Human)
GeneVIPR1
SynonymVPAC1
VIP-R-1
VIP and PACAP receptor 1
VIP-R1
RDC1
[ Show all ]
DiseaseRespiratory disease
Chronic obstructive pulmonary disease; Pulmonary arterial hypertension
Length457
Amino acid sequenceMRPPSPLPARWLCVLAGALAWALGPAGGQAARLQEECDYVQMIEVQHKQCLEEAQLENETIGCSKMWDNLTCWPATPRGQVVVLACPLIFKLFSSIQGRNVSRSCTDEGWTHLEPGPYPIACGLDDKAASLDEQQTMFYGSVKTGYTIGYGLSLATLLVATAILSLFRKLHCTRNYIHMHLFISFILRAAAVFIKDLALFDSGESDQCSEGSVGCKAAMVFFQYCVMANFFWLLVEGLYLYTLLAVSFFSERKYFWGYILIGWGVPSTFTMVWTIARIHFEDYGCWDTINSSLWWIIKGPILTSILVNFILFICIIRILLQKLRPPDIRKSDSSPYSRLARSTLLLIPLFGVHYIMFAFFPDNFKPEVKMVFELVVGSFQGFVVAILYCFLNGEVQAELRRKWRRWHLQGVLGWNPKYRHPSGGSNGATCSTQVSMLTRVSPGARRSSSFQAEVSLV
UniProtP32241
Protein Data BankN/A
GPCR-HGmod modelP32241
3D structure modelThis predicted structure model is from GPCR-EXP P32241.
BioLiPN/A
Therapeutic Target DatabaseT86364
ChEMBLCHEMBL5144
IUPHAR371
DrugBankN/A

Ligand

NameCHEMBL3736134
Molecular formulaC150H227FN40O39S
IUPAC name(3S)-4-[[2-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-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)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-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-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-[4-[2-(4-fluorophenyl)ethynyl]phenyl]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoic acid
Molecular weight3265.76
Hydrogen bond acceptor48
Hydrogen bond donor48
XlogP-8.2
SynonymsN/A
Inchi KeyPKTPZIVUKIRQDY-XDIGKSNJSA-N
Inchi IDInChI=1S/C150H227FN40O39S/c1-16-80(10)121(188-116(200)71-165-128(210)110(68-117(201)202)182-143(225)112(72-192)185-127(209)96(155)67-92-70-162-75-166-92)147(229)183-109(63-87-34-32-85(33-35-87)30-31-86-36-44-91(151)45-37-86)141(223)191-122(84(14)195)148(230)184-111(69-118(203)204)140(222)187-114(74-194)144(226)181-108(66-90-42-50-95(198)51-43-90)139(221)186-113(73-193)142(224)173-101(29-24-59-164-150(160)161)134(216)179-106(64-88-38-46-93(196)47-39-88)137(219)172-100(28-23-58-163-149(158)159)132(214)170-97(25-17-20-55-152)130(212)174-102(52-53-115(156)199)135(217)175-103(54-60-231-15)129(211)168-83(13)126(208)189-119(78(6)7)145(227)176-99(27-19-22-57-154)131(213)171-98(26-18-21-56-153)133(215)180-107(65-89-40-48-94(197)49-41-89)138(220)178-105(62-77(4)5)136(218)169-81(11)124(206)167-82(12)125(207)190-120(79(8)9)146(228)177-104(123(157)205)61-76(2)3/h32-51,70,75-84,96-114,119-122,192-198H,16-29,52-69,71-74,152-155H2,1-15H3,(H2,156,199)(H2,157,205)(H,162,166)(H,165,210)(H,167,206)(H,168,211)(H,169,218)(H,170,214)(H,171,213)(H,172,219)(H,173,224)(H,174,212)(H,175,217)(H,176,227)(H,177,228)(H,178,220)(H,179,216)(H,180,215)(H,181,226)(H,182,225)(H,183,229)(H,184,230)(H,185,209)(H,186,221)(H,187,222)(H,188,200)(H,189,208)(H,190,207)(H,191,223)(H,201,202)(H,203,204)(H4,158,159,163)(H4,160,161,164)/t80-,81-,82-,83-,84+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,119-,120-,121-,122-/m0/s1
PubChem CID127035881
ChEMBLCHEMBL3736134
IUPHARN/A
BindingDBN/A
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
IC509.0 nMPMID26448038ChEMBL
IC509.333 nMPMID26448038ChEMBL

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