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Ligand

NameCHEMBL3037804
Molecular formulaC154H225N41O46S
IUPAC name(4R)-5-[[(2S,3R)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-carboxy-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]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylbutan-2-yl]amino]-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoic acid
Molecular weight3418.79
Hydrogen bond acceptor51
Hydrogen bond donor50
XlogP-15.0
SynonymsBDBM50454201
Inchi KeyUQNNCXPNVADEGE-QAQCZSODSA-N
Inchi IDInChI=1S/C154H225N41O46S/c1-75(2)59-101(137(226)178-100(54-58-242-11)135(224)186-108(66-117(160)207)146(235)194-124(80(9)200)126(161)215)181-141(230)107(65-87-69-168-92-34-22-21-33-90(87)92)185-134(223)98(48-52-116(159)206)179-150(239)122(77(5)6)192-144(233)105(61-82-27-15-12-16-28-82)184-142(231)109(67-120(211)212)187-133(222)97(47-51-115(158)205)172-127(216)79(8)170-130(219)94(36-25-56-166-153(162)163)174-131(220)95(37-26-57-167-154(164)165)176-147(236)111(72-197)189-143(232)110(68-121(213)214)188-138(227)102(60-76(3)4)180-140(229)104(64-85-40-44-89(203)45-41-85)182-132(221)93(35-23-24-55-155)175-148(237)112(73-198)190-151(240)123(78(7)86-31-19-14-20-32-86)193-136(225)99(49-53-119(209)210)177-149(238)113(74-199)191-152(241)125(81(10)201)195-145(234)106(62-83-29-17-13-18-30-83)183-139(228)103(63-84-38-42-88(202)43-39-84)171-118(208)70-169-129(218)96(46-50-114(157)204)173-128(217)91(156)71-196/h12-22,27-34,38-45,69,75-81,91,93-113,122-125,168,196-203H,23-26,35-37,46-68,70-74,155-156H2,1-11H3,(H2,157,204)(H2,158,205)(H2,159,206)(H2,160,207)(H2,161,215)(H,169,218)(H,170,219)(H,171,208)(H,172,216)(H,173,217)(H,174,220)(H,175,237)(H,176,236)(H,177,238)(H,178,226)(H,179,239)(H,180,229)(H,181,230)(H,182,221)(H,183,228)(H,184,231)(H,185,223)(H,186,224)(H,187,222)(H,188,227)(H,189,232)(H,190,240)(H,191,241)(H,192,233)(H,193,225)(H,194,235)(H,195,234)(H,209,210)(H,211,212)(H,213,214)(H4,162,163,166)(H4,164,165,167)/t78-,79+,80-,81-,91+,93+,94+,95+,96+,97+,98+,99-,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,122+,123+,124+,125+/m1/s1
PubChem CID73355776
ChEMBLCHEMBL3037804
IUPHARN/A
BindingDB50454201
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
343081Glucagon receptorP30082GcgrRattus norvegicus (Rat)485

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