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Ligand

NameCHEMBL3759714
Molecular formulaC65H106N16O10
IUPAC name(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-(hexadecanoylamino)-2-methylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]butanediamide
Molecular weight1271.67
Hydrogen bond acceptor12
Hydrogen bond donor13
XlogP5.5
SynonymsN/A
Inchi KeyBQBLRVAWYXTIRR-IURAFAQNSA-N
Inchi IDInChI=1S/C65H106N16O10/c1-6-7-8-9-10-11-12-13-14-15-16-17-24-35-54(83)80-65(4,5)62(91)79-51(41-45-30-22-19-23-31-45)59(88)77-49(39-43(2)3)57(86)78-50(40-44-28-20-18-21-29-44)58(87)75-47(33-26-37-73-64(70)71)61(90)81-38-27-34-52(81)60(89)74-46(32-25-36-72-63(68)69)56(85)76-48(55(67)84)42-53(66)82/h18-23,28-31,43,46-52H,6-17,24-27,32-42H2,1-5H3,(H2,66,82)(H2,67,84)(H,74,89)(H,75,87)(H,76,85)(H,77,88)(H,78,86)(H,79,91)(H,80,83)(H4,68,69,72)(H4,70,71,73)/t46-,47-,48-,49-,50-,51-,52-/m0/s1
PubChem CID127026380
ChEMBLCHEMBL3759714
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.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
522454Neuromedin-U receptor 1Q9HB89NMUR1Homo sapiens (Human)426
522455Neuromedin-U receptor 2Q9GZQ4NMUR2Homo sapiens (Human)415

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