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Ligand

NameCHEMBL133798
Molecular formulaC41H71N10O8+
IUPAC name[(5S)-5-amino-6-[[N'-[(4S)-4-amino-5-[(2S)-2-[[(2S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-3-methylbutyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentyl]carbamimidoyl]amino]-6-oxohexyl]-trimethylazanium
Molecular weight832.081
Hydrogen bond acceptor11
Hydrogen bond donor9
XlogP0.0
SynonymsBDBM50133205
Compound KK8
Inchi KeyMNPDUJGZIRLSLW-CIYBFAGOSA-O
Inchi IDInChI=1S/C41H70N10O8/c1-8-26(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)33-15-12-21-50(33)39(57)30(43)14-11-20-45-41(44)49-35(53)29(42)13-9-10-22-51(5,6)7/h16-19,25-26,29-34H,8-15,20-24,42-43H2,1-7H3,(H7-,44,45,46,47,48,49,52,53,54,55,56,58,59)/p+1/t26-,29-,30-,31-,32-,33-,34-/m0/s1
PubChem CID44354305
ChEMBLCHEMBL133798
IUPHARN/A
BindingDB50133205
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
209943Neurotensin receptor type 1P30989NTSR1Homo sapiens (Human)418
209944Neurotensin receptor type 2O95665NTSR2Homo sapiens (Human)410

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