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Ligand

NameCHEMBL3759206
Molecular formulaC69H114N18O11
IUPAC name(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[2-(hexadecylamino)-2-oxoethyl]amino]acetyl]amino]-2-methylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]butanediamide
Molecular weight1371.79
Hydrogen bond acceptor14
Hydrogen bond donor15
XlogP4.9
SynonymsSCHEMBL18480625
Inchi KeyFMLNZTDPRUXRKS-DKKXDTQASA-N
Inchi IDInChI=1S/C69H114N18O11/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-25-36-77-57(89)44-76-45-58(90)86-69(4,5)66(98)85-54(42-48-31-23-20-24-32-48)63(95)83-52(40-46(2)3)61(93)84-53(41-47-29-21-19-22-30-47)62(94)81-50(34-27-38-79-68(74)75)65(97)87-39-28-35-55(87)64(96)80-49(33-26-37-78-67(72)73)60(92)82-51(59(71)91)43-56(70)88/h19-24,29-32,46,49-55,76H,6-18,25-28,33-45H2,1-5H3,(H2,70,88)(H2,71,91)(H,77,89)(H,80,96)(H,81,94)(H,82,92)(H,83,95)(H,84,93)(H,85,98)(H,86,90)(H4,72,73,78)(H4,74,75,79)/t49-,50-,51-,52-,53-,54-,55-/m0/s1
PubChem CID126558991
ChEMBLCHEMBL3759206
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
523921Neuromedin-U receptor 1Q9HB89NMUR1Homo sapiens (Human)426
523920Neuromedin-U receptor 2Q9GZQ4NMUR2Homo sapiens (Human)415

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