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Ligand

NamePhyllolitorin, leu-8-
Molecular formulaC46H71N11O11S
IUPAC name(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide
Molecular weight986.2
Hydrogen bond acceptor12
Hydrogen bond donor12
XlogP1.1
SynonymsLeu8-phyllolitorin
BDBM85487
(Leu(8))phyllolitorin
Pgltavggslm
87734-76-7
[ Show all ]
Inchi KeyOXNNISAYYLBJKU-IXSLUFBNSA-N
Inchi IDInChI=1S/C46H71N11O11S/c1-23(2)17-32(43(65)53-30(39(47)61)15-16-69-8)55-45(67)35(22-58)52-37(60)21-49-46(68)38(25(5)6)57-40(62)26(7)50-42(64)34(19-27-20-48-29-12-10-9-11-28(27)29)56-44(66)33(18-24(3)4)54-41(63)31-13-14-36(59)51-31/h9-12,20,23-26,30-35,38,48,58H,13-19,21-22H2,1-8H3,(H2,47,61)(H,49,68)(H,50,64)(H,51,59)(H,52,60)(H,53,65)(H,54,63)(H,55,67)(H,56,66)(H,57,62)/t26-,30-,31-,32-,33-,34-,35-,38-/m0/s1
PubChem CID5748286
ChEMBLN/A
IUPHARN/A
BindingDB85487
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
252686Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399
252687Neuromedin-B receptorP24053NmbrRattus norvegicus (Rat)390

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