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Ligand

NameCHEMBL262977
Molecular formulaC61H77N13O10
IUPAC name(2R)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-phenylacetyl)amino]propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]-N-ethylpyrrolidine-2-carboxamide
Molecular weight1152.37
Hydrogen bond acceptor11
Hydrogen bond donor13
XlogP3.8
SynonymsN/A
Inchi KeyBIUQXLIAIVPSGZ-OYZUTEJSSA-N
Inchi IDInChI=1S/C61H77N13O10/c1-4-64-59(83)52-21-13-27-74(52)60(84)46(20-12-26-65-61(62)63)69-54(78)47(28-36(2)3)70-57(81)50(32-40-34-67-45-19-11-9-17-43(40)45)72-55(79)48(29-38-22-24-41(76)25-23-38)71-58(82)51(35-75)73-56(80)49(68-53(77)30-37-14-6-5-7-15-37)31-39-33-66-44-18-10-8-16-42(39)44/h5-11,14-19,22-25,33-34,36,46-52,66-67,75-76H,4,12-13,20-21,26-32,35H2,1-3H3,(H,64,83)(H,68,77)(H,69,78)(H,70,81)(H,71,82)(H,72,79)(H,73,80)(H4,62,63,65)/t46-,47-,48-,49-,50+,51-,52+/m0/s1
PubChem CID44375394
ChEMBLCHEMBL262977
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
24740Gonadotropin-releasing hormone receptorP30969GnrhrRattus norvegicus (Rat)327

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