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Ligand

NameCID 56669761
Molecular formulaC118H179N33O33
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)-4-amino-2-[[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-5-oxopentanoic acid
Molecular weight2587.93
Hydrogen bond acceptor38
Hydrogen bond donor39
XlogP-12.4
SynonymsN/A
Inchi KeyLYORSCQZVOOECO-RFBWDRSOSA-N
Inchi IDInChI=1S/C118H179N33O33/c1-63(2)48-79(144-102(169)72-32-21-45-127-72)100(167)132-60-95(160)137-86(56-91(122)156)113(180)146-80(49-64(3)4)108(175)134-66(7)98(165)138-77(39-41-96(161)162)106(173)143-78(40-42-97(163)164)107(174)145-81(50-65(5)6)109(176)148-85(55-90(121)155)101(168)133-59-94(159)136-83(53-70-35-37-71(154)38-36-70)111(178)150-88(61-152)114(181)142-75(33-22-46-128-117(123)124)104(171)140-74(31-18-20-44-120)103(170)139-73(30-17-19-43-119)99(166)131-57-92(157)130-58-93(158)135-82(51-67-24-11-8-12-25-67)110(177)151-89(62-153)115(182)147-84(52-68-26-13-9-14-27-68)112(179)141-76(34-23-47-129-118(125)126)105(172)149-87(116(183)184)54-69-28-15-10-16-29-69/h8-16,24-29,35-38,63-66,72-89,127,152-154H,17-23,30-34,39-62,119-120H2,1-7H3,(H2,121,155)(H2,122,156)(H,130,157)(H,131,166)(H,132,167)(H,133,168)(H,134,175)(H,135,158)(H,136,159)(H,137,160)(H,138,165)(H,139,170)(H,140,171)(H,141,179)(H,142,181)(H,143,173)(H,144,169)(H,145,174)(H,146,180)(H,147,182)(H,148,176)(H,149,172)(H,150,178)(H,151,177)(H,161,162)(H,163,164)(H,183,184)(H4,123,124,128)(H4,125,126,129)/t66-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-/m0/s1
PubChem CID56669761
ChEMBLCHEMBL1800099
IUPHARN/A
BindingDB50347821
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
199550Pyroglutamylated RF-amide peptide receptorQ96P65QRFPRHomo sapiens (Human)431

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