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Ligand

NameCHEMBL1766927
Molecular formulaC35H58N12O8
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]propanoic acid
Molecular weight774.925
Hydrogen bond acceptor11
Hydrogen bond donor11
XlogP-4.2
SynonymsBDBM50342268
H-Arg-Arg-Pro-Tyr-Ile-Ala-OH
Inchi KeyMUUUGJBYOYXOHN-MTSFBONFSA-N
Inchi IDInChI=1S/C35H58N12O8/c1-4-19(2)27(31(52)43-20(3)33(54)55)46-29(50)25(18-21-11-13-22(48)14-12-21)45-30(51)26-10-7-17-47(26)32(53)24(9-6-16-42-35(39)40)44-28(49)23(36)8-5-15-41-34(37)38/h11-14,19-20,23-27,48H,4-10,15-18,36H2,1-3H3,(H,43,52)(H,44,49)(H,45,51)(H,46,50)(H,54,55)(H4,37,38,41)(H4,39,40,42)/t19-,20-,23-,24-,25-,26-,27-/m0/s1
PubChem CID54585989
ChEMBLCHEMBL1766927
IUPHARN/A
BindingDB50342268
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
214679Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
214680Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410

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