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Ligand

NameCHEMBL133850
Molecular formulaC41H70N10O8
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-5-[[amino-[[(2S)-2-amino-7-(dimethylamino)heptanoyl]amino]methylidene]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight831.073
Hydrogen bond acceptor12
Hydrogen bond donor9
XlogP0.3
SynonymsBDBM50133187
Compound KK3
Inchi KeyOTFZHUWITMKDIT-CIYBFAGOSA-N
Inchi IDInChI=1S/C41H70N10O8/c1-7-26(4)34(38(56)47-32(40(58)59)23-25(2)3)48-36(54)31(24-27-16-18-28(52)19-17-27)46-37(55)33-15-12-22-51(33)39(57)30(43)14-11-20-45-41(44)49-35(53)29(42)13-9-8-10-21-50(5)6/h16-19,25-26,29-34,52H,7-15,20-24,42-43H2,1-6H3,(H,46,55)(H,47,56)(H,48,54)(H,58,59)(H3,44,45,49,53)/t26-,29-,30-,31-,32-,33-,34-/m0/s1
PubChem CID44354113
ChEMBLCHEMBL133850
IUPHARN/A
BindingDB50133187
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
249828Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
249829Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410

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