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Ligand

NameCHEMBL415177
Molecular formulaC123H182N36O42
IUPAC name(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]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]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid
Molecular weight2837.02
Hydrogen bond acceptor47
Hydrogen bond donor45
XlogP-18.0
SynonymsN/A
Inchi KeyAMNXVVDVLJQQDQ-HXJWOVOWSA-N
Inchi IDInChI=1S/C123H182N36O42/c1-58(2)42-77(106(185)150-84(50-95(176)177)111(190)155-87(55-162)116(195)142-73(24-17-41-135-123(131)132)103(182)140-72(23-16-40-134-122(129)130)102(181)138-60(5)99(178)139-75(34-37-90(127)169)105(184)149-82(48-93(172)173)109(188)148-80(43-63-18-10-8-11-19-63)112(191)158-96(59(3)4)118(197)144-76(121(200)201)35-38-91(128)170)145-107(186)78(45-65-25-29-68(166)30-26-65)146-104(183)71(22-14-15-39-124)141-115(194)86(54-161)154-108(187)79(46-66-27-31-69(167)32-28-66)147-110(189)83(49-94(174)175)151-117(196)88(56-163)156-120(199)98(62(7)165)159-113(192)81(44-64-20-12-9-13-21-64)152-119(198)97(61(6)164)157-92(171)52-136-101(180)74(33-36-89(126)168)143-114(193)85(53-160)153-100(179)70(125)47-67-51-133-57-137-67/h8-13,18-21,25-32,51,57-62,70-88,96-98,160-167H,14-17,22-24,33-50,52-56,124-125H2,1-7H3,(H2,126,168)(H2,127,169)(H2,128,170)(H,133,137)(H,136,180)(H,138,181)(H,139,178)(H,140,182)(H,141,194)(H,142,195)(H,143,193)(H,144,197)(H,145,186)(H,146,183)(H,147,189)(H,148,188)(H,149,184)(H,150,185)(H,151,196)(H,152,198)(H,153,179)(H,154,187)(H,155,190)(H,156,199)(H,157,171)(H,158,191)(H,159,192)(H,172,173)(H,174,175)(H,176,177)(H,200,201)(H4,129,130,134)(H4,131,132,135)/t60-,61+,62+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,96-,97-,98-/m0/s1
PubChem CID44277952
ChEMBLCHEMBL415177
IUPHARN/A
BindingDBN/A
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
9083Glucagon receptorP30082GcgrRattus norvegicus (Rat)485

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