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Ligand

NameCID 44278164
Molecular formulaC115H172N32O33S
IUPAC name(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-6-aminohexanoyl]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-amino-5-oxopentanoyl]amino]-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]-4-oxobutanoic acid
Molecular weight2562.89
Hydrogen bond acceptor37
Hydrogen bond donor37
XlogP-9.1
SynonymsN/A
Inchi KeyGYRCDZQVSQABEQ-NYPOGKOPSA-N
Inchi IDInChI=1S/C115H172N32O33S/c1-56(2)44-76(102(169)134-75(39-43-181-10)101(168)141-82(50-89(119)156)110(177)147-93(60(8)150)94(120)161)137-106(173)81(49-65-53-127-69-23-15-14-22-68(65)69)140-100(167)74(36-38-88(118)155)135-113(180)92(58(5)6)146-109(176)80(46-62-20-12-11-13-21-62)139-107(174)83(51-90(157)158)142-99(166)73(35-37-87(117)154)130-95(162)59(7)128-96(163)71(25-18-41-125-114(121)122)131-97(164)72(26-19-42-126-115(123)124)133-112(179)86(55-149)145-108(175)84(52-91(159)160)143-103(170)77(45-57(3)4)136-105(172)79(48-64-29-33-67(153)34-30-64)138-98(165)70(24-16-17-40-116)132-111(178)85(54-148)144-104(171)78(129-61(9)151)47-63-27-31-66(152)32-28-63/h11-15,20-23,27-34,53,56-60,70-86,92-93,127,148-150,152-153H,16-19,24-26,35-52,54-55,116H2,1-10H3,(H2,117,154)(H2,118,155)(H2,119,156)(H2,120,161)(H,128,163)(H,129,151)(H,130,162)(H,131,164)(H,132,178)(H,133,179)(H,134,169)(H,135,180)(H,136,172)(H,137,173)(H,138,165)(H,139,174)(H,140,167)(H,141,168)(H,142,166)(H,143,170)(H,144,171)(H,145,175)(H,146,176)(H,147,177)(H,157,158)(H,159,160)(H4,121,122,125)(H4,123,124,126)/t59-,60+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,92-,93-/m0/s1
PubChem CID44278164
ChEMBLCHEMBL437048
IUPHARN/A
BindingDB50098565
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
108541Glucagon receptorP30082GcgrRattus norvegicus (Rat)485

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