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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

NameCHEMBL3823541
Molecular formulaC172H263N43O52
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)-6-amino-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-1-amino-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-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-phenylpropan-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 weight3765.25
Hydrogen bond acceptor56
Hydrogen bond donor53
XlogP-9.1
SynonymsBDBM50183657
Inchi KeyAVYLMJODKHVQHD-SDEOLOGJSA-N
Inchi IDInChI=1S/C172H263N43O52/c1-23-28-50-103(191-148(244)107(55-57-128(225)226)192-157(253)119(72-131(231)232)205-164(260)123(80-217)208-154(250)113(64-95-43-32-29-33-44-95)201-163(259)122(79-216)189-127(224)78-184-145(241)118(71-130(229)230)188-126(223)77-183-144(240)101(174)68-99-76-180-81-185-99)146(242)199-115(66-97-47-36-31-37-48-97)162(258)214-140(94(22)220)171(267)212-136(88(16)26-4)167(263)206-111(62-84(10)11)153(249)204-121(74-133(235)236)158(254)197-110(61-83(8)9)152(248)196-109(60-82(6)7)151(247)187-90(18)142(238)186-91(19)143(239)190-105(53-42-59-181-172(178)179)147(243)203-120(73-132(233)234)159(255)200-114(65-96-45-34-30-35-46-96)161(257)211-135(87(15)25-3)166(262)207-117(69-125(176)222)156(252)202-116(67-98-75-182-102-51-39-38-49-100(98)102)155(251)198-112(63-85(12)13)160(256)210-134(86(14)24-2)165(261)194-106(54-56-124(175)221)150(246)213-138(92(20)218)169(265)193-104(52-40-41-58-173)149(245)209-137(89(17)27-5)168(264)215-139(93(21)219)170(266)195-108(141(177)237)70-129(227)228/h29-39,43-49,51,75-76,81-94,101,103-123,134-140,182,216-220H,23-28,40-42,50,52-74,77-80,173-174H2,1-22H3,(H2,175,221)(H2,176,222)(H2,177,237)(H,180,185)(H,183,240)(H,184,241)(H,186,238)(H,187,247)(H,188,223)(H,189,224)(H,190,239)(H,191,244)(H,192,253)(H,193,265)(H,194,261)(H,195,266)(H,196,248)(H,197,254)(H,198,251)(H,199,242)(H,200,255)(H,201,259)(H,202,252)(H,203,243)(H,204,249)(H,205,260)(H,206,263)(H,207,262)(H,208,250)(H,209,245)(H,210,256)(H,211,257)(H,212,267)(H,213,246)(H,214,258)(H,215,264)(H,225,226)(H,227,228)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H4,178,179,181)/t86-,87-,88-,89-,90-,91-,92+,93+,94+,101-,103?,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115+,116-,117-,118-,119-,120-,121-,122-,123-,134-,135-,136-,137-,138-,139-,140-/m0/s1
PubChem CID127050816
ChEMBLCHEMBL3823541
IUPHARN/A
BindingDB50183657
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
EC500.03 nMPMID26986178BindingDB
EC500.03 nMPMID26986178ChEMBL

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