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Ligand

NameCHEMBL268540
Molecular formulaC114H185N33O31
IUPAC name(3R)-4-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2R)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
Molecular weight2513.93
Hydrogen bond acceptor36
Hydrogen bond donor37
XlogP-8.2
SynonymsN/A
Inchi KeyIVNSOEROBJCZKU-XRUOMIMFSA-N
Inchi IDInChI=1S/C114H185N33O31/c1-15-60(10)90(146-95(161)63(13)129-103(169)82(52-88(156)157)137-94(160)61(11)128-96(162)70(117)48-66-31-35-68(151)36-32-66)111(177)141-80(49-65-25-17-16-18-26-65)107(173)147-91(64(14)150)112(178)142-81(51-86(119)154)106(172)144-84(55-149)109(175)139-79(50-67-33-37-69(152)38-34-67)105(171)135-74(30-24-44-126-114(123)124)99(165)134-72(28-20-22-42-116)102(168)145-89(59(8)9)110(176)140-77(46-57(4)5)97(163)127-53-87(155)131-75(39-40-85(118)153)101(167)138-78(47-58(6)7)104(170)143-83(54-148)108(174)130-62(12)93(159)132-73(29-23-43-125-113(121)122)98(164)133-71(27-19-21-41-115)100(166)136-76(92(120)158)45-56(2)3/h16-18,25-26,31-38,56-64,70-84,89-91,148-152H,15,19-24,27-30,39-55,115-117H2,1-14H3,(H2,118,153)(H2,119,154)(H2,120,158)(H,127,163)(H,128,162)(H,129,169)(H,130,174)(H,131,155)(H,132,159)(H,133,164)(H,134,165)(H,135,171)(H,136,166)(H,137,160)(H,138,167)(H,139,175)(H,140,176)(H,141,177)(H,142,178)(H,143,170)(H,144,172)(H,145,168)(H,146,161)(H,147,173)(H,156,157)(H4,121,122,125)(H4,123,124,126)/t60-,61-,62-,63-,64+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81+,82+,83-,84-,89-,90-,91-/m0/s1
PubChem CID44310542
ChEMBLCHEMBL268540
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
142809Growth hormone-releasing hormone receptorQ02644GhrhrRattus norvegicus (Rat)464

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