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Ligand

NameCID 56659504
Molecular formulaC105H158N30O30
IUPAC name(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-5-oxopentanoic acid
Molecular weight2320.6
Hydrogen bond acceptor35
Hydrogen bond donor36
XlogP-13.2
SynonymsN/A
Inchi KeyFHCLHDONUSUAEW-SMIKCYSDSA-N
Inchi IDInChI=1S/C105H158N30O30/c1-56(2)43-71(129-88(149)64(108)49-80(109)139)96(157)120-58(5)87(148)123-69(35-37-85(144)145)94(155)128-70(36-38-86(146)147)95(156)130-72(44-57(3)4)97(158)132-76(50-81(110)140)90(151)119-53-84(143)122-74(47-62-31-33-63(138)34-32-62)99(160)134-78(54-136)101(162)127-67(29-19-41-115-104(111)112)92(153)125-66(28-16-18-40-107)91(152)124-65(27-15-17-39-106)89(150)118-51-82(141)117-52-83(142)121-73(45-59-21-9-6-10-22-59)98(159)135-79(55-137)102(163)131-75(46-60-23-11-7-12-24-60)100(161)126-68(30-20-42-116-105(113)114)93(154)133-77(103(164)165)48-61-25-13-8-14-26-61/h6-14,21-26,31-34,56-58,64-79,136-138H,15-20,27-30,35-55,106-108H2,1-5H3,(H2,109,139)(H2,110,140)(H,117,141)(H,118,150)(H,119,151)(H,120,157)(H,121,142)(H,122,143)(H,123,148)(H,124,152)(H,125,153)(H,126,161)(H,127,162)(H,128,155)(H,129,149)(H,130,156)(H,131,163)(H,132,158)(H,133,154)(H,134,160)(H,135,159)(H,144,145)(H,146,147)(H,164,165)(H4,111,112,115)(H4,113,114,116)/t58-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-/m0/s1
PubChem CID56659504
ChEMBLCHEMBL1802418
IUPHARN/A
BindingDB50347822
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
78294Pyroglutamylated RF-amide peptide receptorQ96P65QRFPRHomo sapiens (Human)431

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