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Ligand

NameCHEMBL1793838
Molecular formulaC38H66N12O7
IUPAC name(2S)-2-[[(2R,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight803.023
Hydrogen bond acceptor11
Hydrogen bond donor11
XlogP-2.2
SynonymsBDBM50369071
Inchi KeyKOENCZKDTYXAJY-VMDDQKJDSA-N
Inchi IDInChI=1S/C38H66N12O7/c1-5-23(4)31(34(54)49-29(36(56)57)19-22(2)3)46-21-25(20-24-12-14-26(51)15-13-24)47-33(53)30-11-8-18-50(30)35(55)28(10-7-17-45-38(42)43)48-32(52)27(39)9-6-16-44-37(40)41/h12-15,22-23,25,27-31,46,51H,5-11,16-21,39H2,1-4H3,(H,47,53)(H,48,52)(H,49,54)(H,56,57)(H4,40,41,44)(H4,42,43,45)/t23-,25+,27+,28+,29+,30+,31-/m1/s1
PubChem CID56664871
ChEMBLCHEMBL1793838
IUPHARN/A
BindingDB50369071
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
173966Neurotensin receptor type 1P20789Ntsr1Rattus norvegicus (Rat)424

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