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Ligand

NameBDBM50098574
Molecular formulaC127H182N32O32S
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-(4-phenylbutanoylamino)propanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoic acid
Molecular weight2701.1
Hydrogen bond acceptor36
Hydrogen bond donor38
XlogP-4.5
Synonymsphenylbutyryl-Tyr-Ser-Lys-2-Nal-Leu-Asp-Ser-Arg-Arg-Ala-Gln-Asp-Phe-Val-Gln-Trp-Leu-Met-Asn-Thr-NH2
Inchi KeyDCRYTZBMARURHD-YILASRLDSA-N
Inchi IDInChI=1S/C127H182N32O32S/c1-66(2)53-87(114(180)146-86(48-52-192-9)113(179)153-93(60-100(131)166)122(188)159-105(70(8)162)106(132)172)149-118(184)92(59-77-63-139-80-33-19-18-32-79(77)80)152-112(178)85(45-47-99(130)165)147-125(191)104(68(5)6)158-121(187)90(56-72-27-14-11-15-28-72)151-119(185)94(61-102(168)169)154-111(177)84(44-46-98(129)164)142-107(173)69(7)140-108(174)82(35-23-50-137-126(133)134)143-109(175)83(36-24-51-138-127(135)136)145-124(190)97(65-161)157-120(186)95(62-103(170)171)155-115(181)88(54-67(3)4)148-117(183)91(58-74-38-41-75-30-16-17-31-76(75)55-74)150-110(176)81(34-20-21-49-128)144-123(189)96(64-160)156-116(182)89(57-73-39-42-78(163)43-40-73)141-101(167)37-22-29-71-25-12-10-13-26-71/h10-19,25-28,30-33,38-43,55,63,66-70,81-97,104-105,139,160-163H,20-24,29,34-37,44-54,56-62,64-65,128H2,1-9H3,(H2,129,164)(H2,130,165)(H2,131,166)(H2,132,172)(H,140,174)(H,141,167)(H,142,173)(H,143,175)(H,144,189)(H,145,190)(H,146,180)(H,147,191)(H,148,183)(H,149,184)(H,150,176)(H,151,185)(H,152,178)(H,153,179)(H,154,177)(H,155,181)(H,156,182)(H,157,186)(H,158,187)(H,159,188)(H,168,169)(H,170,171)(H4,133,134,137)(H4,135,136,138)/t69-,70+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,104-,105-/m0/s1
PubChem CID91931637
ChEMBLCHEMBL409896
IUPHARN/A
BindingDB50098574
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
56648Glucagon receptorP30082GcgrRattus norvegicus (Rat)485

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