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Ligand

NameCHEMBL275709
Molecular formulaC56H70N10O9
IUPAC name1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]-N-ethylpyrrolidine-2-carboxamide
Molecular weight1027.24
Hydrogen bond acceptor10
Hydrogen bond donor10
XlogP4.7
SynonymsBDBM50405785
Inchi KeyAPPHLBSAPFGYEX-NKSNMKHQSA-N
Inchi IDInChI=1S/C56H70N10O9/c1-4-59-54(74)48-19-11-27-66(48)55(75)43(18-10-26-60-56(57)58)62-50(70)44(28-34(2)3)63-52(72)46(31-36-20-23-37-12-5-6-14-39(37)29-36)64-51(71)45(30-35-21-24-41(68)25-22-35)65-53(73)47(33-67)61-49(69)32-40-16-9-15-38-13-7-8-17-42(38)40/h5-9,12-17,20-25,29,34,43-48,67-68H,4,10-11,18-19,26-28,30-33H2,1-3H3,(H,59,74)(H,61,69)(H,62,70)(H,63,72)(H,64,71)(H,65,73)(H4,57,58,60)/t43-,44-,45-,46+,47-,48?/m0/s1
PubChem CID44315053
ChEMBLCHEMBL275709
IUPHARN/A
BindingDB50405785
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
11209Lutropin-choriogonadotropic hormone receptorP16235LhcgrRattus norvegicus (Rat)700

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