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Ligand

NameCHEMBL412573
Molecular formulaC54H69N11O10
IUPAC name1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[(2-naphthalen-1-yloxyacetyl)amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]-N-ethylpyrrolidine-2-carboxamide
Molecular weight1032.21
Hydrogen bond acceptor11
Hydrogen bond donor11
XlogP3.7
SynonymsBDBM50405763
Inchi KeyGXGJRCZJKRJBEX-JMYQLIFYSA-N
Inchi IDInChI=1S/C54H69N11O10/c1-4-57-52(73)45-18-11-25-65(45)53(74)40(17-10-24-58-54(55)56)61-48(69)41(26-32(2)3)62-50(71)43(28-35-29-59-39-16-8-7-14-37(35)39)64-49(70)42(27-33-20-22-36(67)23-21-33)63-51(72)44(30-66)60-47(68)31-75-46-19-9-13-34-12-5-6-15-38(34)46/h5-9,12-16,19-23,29,32,40-45,59,66-67H,4,10-11,17-18,24-28,30-31H2,1-3H3,(H,57,73)(H,60,68)(H,61,69)(H,62,71)(H,63,72)(H,64,70)(H4,55,56,58)/t40-,41-,42-,43+,44-,45?/m0/s1
PubChem CID44314939
ChEMBLCHEMBL412573
IUPHARN/A
BindingDB50405763
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
107607Lutropin-choriogonadotropic hormone receptorP16235LhcgrRattus norvegicus (Rat)700

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