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Ligand

NameCHEMBL3822975
Molecular formulaC156H234ClN41O47
IUPAC name(4S)-5-[[1-[[(2R)-1-[[(2S,3R)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-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]-1,4-dioxobutan-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]-3-(2-chlorophenyl)-1-oxopropan-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 weight3471.28
Hydrogen bond acceptor51
Hydrogen bond donor49
XlogP-10.4
SynonymsBDBM50184304
Inchi KeyLQHJLOURXHCSRK-YFLLNQOJSA-N
Inchi IDInChI=1S/C156H234ClN41O47/c1-18-22-43-94(178-135(225)97(48-50-118(208)209)179-143(233)108(64-120(212)213)190-150(240)112(72-200)193-139(229)101(56-84-36-25-23-26-37-84)184-149(239)111(71-199)175-117(207)70-170-132(222)107(63-119(210)211)174-116(206)69-169-131(221)91(159)60-88-68-166-73-171-88)133(223)185-103(58-86-40-29-31-42-90(86)157)148(238)198-127(83(17)202)155(245)196-125(79(13)21-4)153(243)191-99(54-75(7)8)138(228)189-110(66-122(216)217)145(235)187-105(61-114(161)204)141(231)181-98(53-74(5)6)137(227)173-80(14)129(219)172-81(15)130(220)177-95(46-35-52-167-156(164)165)134(224)188-109(65-121(214)215)144(234)183-102(57-85-38-27-24-28-39-85)147(237)195-124(78(12)20-3)152(242)192-106(62-115(162)205)142(232)186-104(59-87-67-168-92-44-32-30-41-89(87)92)140(230)182-100(55-76(9)10)146(236)194-123(77(11)19-2)151(241)180-96(47-49-113(160)203)136(226)197-126(82(16)201)154(244)176-93(128(163)218)45-33-34-51-158/h23-32,36-42,44,67-68,73-83,91,93-112,123-127,168,199-202H,18-22,33-35,43,45-66,69-72,158-159H2,1-17H3,(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,173,227)(H,174,206)(H,175,207)(H,176,244)(H,177,220)(H,178,225)(H,179,233)(H,180,241)(H,181,231)(H,182,230)(H,183,234)(H,184,239)(H,185,223)(H,186,232)(H,187,235)(H,188,224)(H,189,228)(H,190,240)(H,191,243)(H,192,242)(H,193,229)(H,194,236)(H,195,237)(H,196,245)(H,197,226)(H,198,238)(H,208,209)(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H4,164,165,167)/t77-,78-,79-,80-,81-,82+,83+,91-,93-,94?,95-,96-,97-,98-,99-,100-,101-,102-,103+,104-,105-,106-,107-,108-,109-,110-,111-,112-,123-,124-,125-,126-,127-/m0/s1
PubChem CID127048907
ChEMBLCHEMBL3822975
IUPHARN/A
BindingDB50184304
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
527133Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
527132Glucagon-like peptide 2 receptorO95838GLP2RHomo sapiens (Human)553

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