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Ligand

NameCHEMBL3951982
Molecular formulaC40H65BrN10O8
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2R,3S)-2-(4-bromophenyl)-3-[[(2S)-1-[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]oxolane-3-carbonyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight893.926
Hydrogen bond acceptor11
Hydrogen bond donor9
XlogP-1.1
SynonymsBDBM50206698
Inchi KeyBWKHHYUDGQOMHK-SIDXGNBNSA-N
Inchi IDInChI=1S/C40H65BrN10O8/c1-5-24(4)31(35(54)48-29(37(56)57)22-23(2)3)49-38(58)40(17-21-59-32(40)25-13-15-26(41)16-14-25)50-34(53)30-12-9-20-51(30)36(55)28(11-8-19-46-39(44)45)47-33(52)27(43)10-6-7-18-42/h13-16,23-24,27-32H,5-12,17-22,42-43H2,1-4H3,(H,47,52)(H,48,54)(H,49,58)(H,50,53)(H,56,57)(H4,44,45,46)/t24-,27-,28-,29-,30-,31-,32+,40-/m0/s1
PubChem CID134144300
ChEMBLCHEMBL3951982
IUPHARN/A
BindingDB50206698
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
548294Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
548293Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410

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