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Ligand

NameCHEMBL1790457
Molecular formulaC42H66N8O9S
IUPAC name(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight859.097
Hydrogen bond acceptor11
Hydrogen bond donor9
XlogP0.7
SynonymsBDBM50366307
Inchi KeyNMEOIJFGBIVEKS-YSJIHZFWSA-N
Inchi IDInChI=1S/C42H66N8O9S/c1-5-25(4)35(39(55)46-30(41(57)58)21-24(2)3)48-37(53)29(22-26-15-17-27(51)18-16-26)45-38(54)32-12-10-20-50(32)40(56)28(11-8-9-19-43)44-34(52)14-7-6-13-33-36-31(23-60-33)47-42(59)49-36/h15-18,24-25,28-33,35-36,51H,5-14,19-23,43H2,1-4H3,(H,44,52)(H,45,54)(H,46,55)(H,48,53)(H,57,58)(H2,47,49,59)/t25-,28+,29+,30+,31?,32+,33?,35+,36?/m1/s1
PubChem CID56669201
ChEMBLCHEMBL1790457
IUPHARN/A
BindingDB50366307
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
226799Neurotensin receptor type 1P20789Ntsr1Rattus norvegicus (Rat)424

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