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Ligand

NameCHEMBL1172376
Molecular formulaC41H70ClN9O8
IUPAC name[(4S)-5-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-3-methylbutyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-5-oxopentyl]-trimethylazanium;chloride
Molecular weight852.516
Hydrogen bond acceptor10
Hydrogen bond donor8
XlogPNone
SynonymsN/A
Inchi KeyDTAHXYZYSFSODV-QUWQNPMZSA-N
Inchi IDInChI=1S/C41H69N9O8.ClH/c1-25(2)23-31(39(57)58)47-37(55)33(41(4,5)6)48-35(53)30(24-27-16-18-28(51)19-17-27)46-36(54)32-15-11-21-49(32)38(56)29(14-10-20-44-40(42)43)45-34(52)26(3)13-12-22-50(7,8)9;/h16-19,25-26,29-33H,10-15,20-24H2,1-9H3,(H9-,42,43,44,45,46,47,48,51,52,53,54,55,57,58);1H/t26-,29-,30-,31-,32-,33+;/m0./s1
PubChem CID49798969
ChEMBLCHEMBL1172376
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
68131Neurotensin receptor type 1P20789Ntsr1Rattus norvegicus (Rat)424
68133Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
68132Neurotensin receptor type 2Q63384Ntsr2Rattus norvegicus (Rat)416
68134Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410

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