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GPCR

NameGlucagon-like peptide 2 receptor
SpeciesHomo sapiens (Human)
GeneGLP2R
SynonymGLP-2R
GLP-2-R
GLP-2 receptor
DiseaseDiarrhea
Gastrointestinal disease
Short bowel syndrome
Osteoporosis
Inflammatory bowel disease
Length553
Amino acid sequenceMKLGSSRAGPGRGSAGLLPGVHELPMGIPAPWGTSPLSFHRKCSLWAPGRPFLTLVLLVSIKQVTGSLLEETTRKWAQYKQACLRDLLKEPSGIFCNGTFDQYVCWPHSSPGNVSVPCPSYLPWWSEESSGRAYRHCLAQGTWQTIENATDIWQDDSECSENHSFKQNVDRYALLSTLQLMYTVGYSFSLISLFLALTLLLFLRKLHCTRNYIHMNLFASFILRTLAVLVKDVVFYNSYSKRPDNENGWMSYLSEMSTSCRSVQVLLHYFVGANYLWLLVEGLYLHTLLEPTVLPERRLWPRYLLLGWAFPVLFVVPWGFARAHLENTGCWTTNGNKKIWWIIRGPMMLCVTVNFFIFLKILKLLISKLKAHQMCFRDYKYRLAKSTLVLIPLLGVHEILFSFITDDQVEGFAKLIRLFIQLTLSSFHGFLVALQYGFANGEVKAELRKYWVRFLLARHSGCRACVLGKDFRFLGKCPKKLSEGDGAEKLRKLQPSLNSGRLLHLAMRGLGELGAQPQQDHARWPRGSSLSECSEGDVTMANTMEEILEESEI
UniProtO95838
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseT34843
ChEMBLCHEMBL5844
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL3824241
Molecular formulaC156H238N40O46S
IUPAC name(4S)-5-[[1-[[(2R)-1-[[(2S,3R)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-5-amino-1-[[(2S,3R)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoic acid
Molecular weight3441.91
Hydrogen bond acceptor51
Hydrogen bond donor48
XlogP-8.5
SynonymsBDBM50183651
Inchi KeyNJXRSLUZDPCWSB-VRGIQHTISA-N
Inchi IDInChI=1S/C156H238N40O46S/c1-20-24-43-95(176-135(222)98(48-50-118(205)206)177-143(230)109(65-120(209)210)188-150(237)113(73-198)191-140(227)103(58-86-37-27-25-28-38-86)183-149(236)112(72-197)173-117(204)71-168-132(219)108(64-119(207)208)172-116(203)70-167-131(218)92(158)61-89-69-164-74-169-89)133(220)185-106(62-90-41-36-53-243-90)148(235)196-127(85(19)200)155(242)194-125(81(15)23-4)153(240)189-101(56-77(9)10)139(226)187-111(67-122(213)214)144(231)180-100(55-76(7)8)138(225)179-99(54-75(5)6)137(224)171-82(16)129(216)170-83(17)130(217)175-96(46-35-52-165-156(162)163)134(221)186-110(66-121(211)212)145(232)182-104(59-87-39-29-26-30-40-87)147(234)193-124(80(14)22-3)152(239)190-107(63-115(160)202)142(229)184-105(60-88-68-166-93-44-32-31-42-91(88)93)141(228)181-102(57-78(11)12)146(233)192-123(79(13)21-2)151(238)178-97(47-49-114(159)201)136(223)195-126(84(18)199)154(241)174-94(128(161)215)45-33-34-51-157/h25-32,36-42,44,53,68-69,74-85,92,94-113,123-127,166,197-200H,20-24,33-35,43,45-52,54-67,70-73,157-158H2,1-19H3,(H2,159,201)(H2,160,202)(H2,161,215)(H,164,169)(H,167,218)(H,168,219)(H,170,216)(H,171,224)(H,172,203)(H,173,204)(H,174,241)(H,175,217)(H,176,222)(H,177,230)(H,178,238)(H,179,225)(H,180,231)(H,181,228)(H,182,232)(H,183,236)(H,184,229)(H,185,220)(H,186,221)(H,187,226)(H,188,237)(H,189,240)(H,190,239)(H,191,227)(H,192,233)(H,193,234)(H,194,242)(H,195,223)(H,196,235)(H,205,206)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H4,162,163,165)/t79-,80-,81-,82-,83-,84+,85+,92-,94-,95?,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106+,107-,108-,109-,110-,111-,112-,113-,123-,124-,125-,126-,127-/m0/s1
PubChem CID127051718
ChEMBLCHEMBL3824241
IUPHARN/A
BindingDB50183651
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
EC500.08 nMPMID26986178BindingDB
EC500.08 nMPMID26986178ChEMBL

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