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Ligand

NameCHEMBL3942339
Molecular formulaC36H58N12O9
IUPAC name(2S)-2-[[2-[[(2R,3S)-3-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-2-(4-hydroxyphenyl)oxolane-3-carbonyl]amino]acetyl]amino]-4-methylpentanoic acid
Molecular weight802.935
Hydrogen bond acceptor12
Hydrogen bond donor11
XlogP-4.8
SynonymsBDBM50206711
J3.603.260J
Arg-Arg-Pro-[(2S,3R)-1-Oxo-2-amino*-3-(4-hydroxyphenyl)-3,2-(epoxyethano)propane-1-yl]-Gly-Leu-OH
Inchi KeyITDNHCVOGVXTKF-IYHYXORSSA-N
Inchi IDInChI=1S/C36H58N12O9/c1-20(2)18-25(32(54)55)45-27(50)19-44-33(56)36(13-17-57-28(36)21-9-11-22(49)12-10-21)47-30(52)26-8-5-16-48(26)31(53)24(7-4-15-43-35(40)41)46-29(51)23(37)6-3-14-42-34(38)39/h9-12,20,23-26,28,49H,3-8,13-19,37H2,1-2H3,(H,44,56)(H,45,50)(H,46,51)(H,47,52)(H,54,55)(H4,38,39,42)(H4,40,41,43)/t23-,24-,25-,26-,28+,36-/m0/s1
PubChem CID132547200
ChEMBLCHEMBL3942339
IUPHARN/A
BindingDB50206711
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
539579Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
539578Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410

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