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Ligand

NameCID 44278463
Molecular formulaC121H176N32O33S
IUPAC name(3S)-4-[[(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-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-3-hydroxy-2-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoic acid
Molecular weight2638.99
Hydrogen bond acceptor37
Hydrogen bond donor37
XlogP-7.5
SynonymsN/A
Inchi KeyNMNZWTQSAADPAO-RLSUCVODSA-N
Inchi IDInChI=1S/C121H176N32O33S/c1-61(2)48-81(108(175)140-80(43-47-187-9)107(174)147-87(55-94(125)161)116(183)153-99(65(8)156)100(126)167)143-112(179)86(54-70-58-133-74-27-17-16-26-73(70)74)146-106(173)79(40-42-93(124)160)141-119(186)98(63(5)6)152-115(182)85(50-66-22-12-10-13-23-66)145-113(180)88(56-96(163)164)148-105(172)78(39-41-92(123)159)136-101(168)64(7)134-102(169)76(29-20-45-131-120(127)128)137-103(170)77(30-21-46-132-121(129)130)139-118(185)91(60-155)151-114(181)89(57-97(165)166)149-109(176)82(49-62(3)4)142-111(178)84(52-69-33-37-72(158)38-34-69)144-104(171)75(28-18-19-44-122)138-117(184)90(59-154)150-110(177)83(51-68-31-35-71(157)36-32-68)135-95(162)53-67-24-14-11-15-25-67/h10-17,22-27,31-38,58,61-65,75-91,98-99,133,154-158H,18-21,28-30,39-57,59-60,122H2,1-9H3,(H2,123,159)(H2,124,160)(H2,125,161)(H2,126,167)(H,134,169)(H,135,162)(H,136,168)(H,137,170)(H,138,184)(H,139,185)(H,140,175)(H,141,186)(H,142,178)(H,143,179)(H,144,171)(H,145,180)(H,146,173)(H,147,174)(H,148,172)(H,149,176)(H,150,177)(H,151,181)(H,152,182)(H,153,183)(H,163,164)(H,165,166)(H4,127,128,131)(H4,129,130,132)/t64-,65+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,98-,99-/m0/s1
PubChem CID44278463
ChEMBLCHEMBL262418
IUPHARN/A
BindingDB50098564
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
227076Glucagon receptorP30082GcgrRattus norvegicus (Rat)485

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