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Ligand

NameCHEMBL2369783
Molecular formulaC45H69N11O9
IUPAC name(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-hydroxy-2-(3-pyridin-3-ylpropanoylamino)propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]-N-ethylpyrrolidine-2-carboxamide
Molecular weight908.115
Hydrogen bond acceptor11
Hydrogen bond donor10
XlogP1.1
SynonymsBDBM50227962
Inchi KeyXCFXTAMOYNBCGK-PCRAMSICSA-N
Inchi IDInChI=1S/C45H69N11O9/c1-6-49-43(64)37-12-9-21-56(37)44(65)32(11-8-20-50-45(46)47)52-39(60)33(22-27(2)3)53-40(61)34(23-28(4)5)54-41(62)35(24-29-13-16-31(58)17-14-29)55-42(63)36(26-57)51-38(59)18-15-30-10-7-19-48-25-30/h7,10,13-14,16-17,19,25,27-28,32-37,57-58H,6,8-9,11-12,15,18,20-24,26H2,1-5H3,(H,49,64)(H,51,59)(H,52,60)(H,53,61)(H,54,62)(H,55,63)(H4,46,47,50)/t32-,33-,34+,35-,36-,37-/m0/s1
PubChem CID14557627
ChEMBLCHEMBL2369783
IUPHARN/A
BindingDBN/A
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
388204Lutropin-choriogonadotropic hormone receptorP16235LhcgrRattus norvegicus (Rat)700

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