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Ligand

NameCHEMBL1790465
Molecular formulaC45H60N6O8
IUPAC name(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[(4-phenylbenzoyl)amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight813.009
Hydrogen bond acceptor9
Hydrogen bond donor7
XlogP3.5
SynonymsBDBM50366300
Inchi KeyDSSNJNICEDASAY-GZNMLJNUSA-N
Inchi IDInChI=1S/C45H60N6O8/c1-5-29(4)39(43(56)49-37(45(58)59)26-28(2)3)50-41(54)36(27-30-16-22-34(52)23-17-30)48-42(55)38-15-11-25-51(38)44(57)35(14-9-10-24-46)47-40(53)33-20-18-32(19-21-33)31-12-7-6-8-13-31/h6-8,12-13,16-23,28-29,35-39,52H,5,9-11,14-15,24-27,46H2,1-4H3,(H,47,53)(H,48,55)(H,49,56)(H,50,54)(H,58,59)/t29-,35+,36+,37+,38+,39+/m1/s1
PubChem CID56658818
ChEMBLCHEMBL1790465
IUPHARN/A
BindingDB50366300
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.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
67931Neurotensin receptor type 1P20789Ntsr1Rattus norvegicus (Rat)424

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