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Ligand

NameCHEMBL3823126
Molecular formulaC157H237N41O47
IUPAC name(4S)-5-[[1-[[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[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]-1-oxo-4-phenylbutan-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]-1,4-dioxobutan-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 weight3450.86
Hydrogen bond acceptor51
Hydrogen bond donor49
XlogP-10.7
SynonymsBDBM50183642
Inchi KeyGQOWGVPTAZYDIP-UCDKYDEOSA-N
Inchi IDInChI=1S/C157H237N41O47/c1-18-22-44-95(178-136(225)99(51-53-119(208)209)180-145(234)110(67-122(214)215)190-151(240)113(74-200)193-141(230)103(59-87-39-28-24-29-40-87)185-150(239)112(73-199)175-118(207)72-170-133(222)108(65-120(210)211)174-117(206)71-169-132(221)92(159)62-90-70-166-75-171-90)134(223)187-107(64-116(162)205)149(238)198-128(85(17)202)156(245)196-126(81(13)21-4)154(243)191-101(57-77(7)8)140(229)189-109(66-121(212)213)144(233)179-97(49-48-86-37-26-23-27-38-86)137(226)182-100(56-76(5)6)139(228)173-82(14)130(219)172-83(15)131(220)177-96(47-36-55-167-157(164)165)135(224)188-111(68-123(216)217)146(235)184-104(60-88-41-30-25-31-42-88)148(237)195-125(80(12)20-3)153(242)192-106(63-115(161)204)143(232)186-105(61-89-69-168-93-45-33-32-43-91(89)93)142(231)183-102(58-78(9)10)147(236)194-124(79(11)19-2)152(241)181-98(50-52-114(160)203)138(227)197-127(84(16)201)155(244)176-94(129(163)218)46-34-35-54-158/h23-33,37-43,45,69-70,75-85,92,94-113,124-128,168,199-202H,18-22,34-36,44,46-68,71-74,158-159H2,1-17H3,(H2,160,203)(H2,161,204)(H2,162,205)(H2,163,218)(H,166,171)(H,169,221)(H,170,222)(H,172,219)(H,173,228)(H,174,206)(H,175,207)(H,176,244)(H,177,220)(H,178,225)(H,179,233)(H,180,234)(H,181,241)(H,182,226)(H,183,231)(H,184,235)(H,185,239)(H,186,232)(H,187,223)(H,188,224)(H,189,229)(H,190,240)(H,191,243)(H,192,242)(H,193,230)(H,194,236)(H,195,237)(H,196,245)(H,197,227)(H,198,238)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H4,164,165,167)/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-,124-,125-,126-,127-,128-/m0/s1
PubChem CID127049561
ChEMBLCHEMBL3823126
IUPHARN/A
BindingDB50183642
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.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
524521Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
524522Glucagon-like peptide 2 receptorO95838GLP2RHomo sapiens (Human)553

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