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Ligand

NameCHEMBL2369807
Molecular formulaC54H69N11O9
IUPAC name(2S)-1-[(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-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]-N-ethylpyrrolidine-2-carboxamide
Molecular weight1016.21
Hydrogen bond acceptor10
Hydrogen bond donor11
XlogP3.6
SynonymsBDBM50405783
Inchi KeyDYNUXTMQIMXIOO-NXINJGQHSA-N
Inchi IDInChI=1S/C54H69N11O9/c1-4-57-52(73)46-19-11-25-65(46)53(74)41(18-10-24-58-54(55)56)61-48(69)42(26-32(2)3)62-50(71)44(28-36-30-59-40-17-8-7-16-39(36)40)64-49(70)43(27-33-20-22-37(67)23-21-33)63-51(72)45(31-66)60-47(68)29-35-14-9-13-34-12-5-6-15-38(34)35/h5-9,12-17,20-23,30,32,41-46,59,66-67H,4,10-11,18-19,24-29,31H2,1-3H3,(H,57,73)(H,60,68)(H,61,69)(H,62,71)(H,63,72)(H,64,70)(H4,55,56,58)/t41-,42-,43-,44+,45-,46-/m0/s1
PubChem CID14557610
ChEMBLCHEMBL2369807
IUPHARN/A
BindingDB50405783
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
72144Lutropin-choriogonadotropic hormone receptorP16235LhcgrRattus norvegicus (Rat)700

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