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Ligand

NameCHEMBL216617
Molecular formulaC57H72N10O9
IUPAC name1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-(3-naphthalen-1-ylpropanoylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]-N-ethylpyrrolidine-2-carboxamide
Molecular weight1041.26
Hydrogen bond acceptor10
Hydrogen bond donor10
XlogP5.0
SynonymsBDBM50405770
Inchi KeyLHDAVEHXXAYDKT-YFSHTKBMSA-N
Inchi IDInChI=1S/C57H72N10O9/c1-4-60-55(75)49-19-11-29-67(49)56(76)44(18-10-28-61-57(58)59)63-51(71)45(30-35(2)3)64-53(73)47(33-37-20-23-38-12-5-6-14-41(38)31-37)65-52(72)46(32-36-21-25-42(69)26-22-36)66-54(74)48(34-68)62-50(70)27-24-40-16-9-15-39-13-7-8-17-43(39)40/h5-9,12-17,20-23,25-26,31,35,44-49,68-69H,4,10-11,18-19,24,27-30,32-34H2,1-3H3,(H,60,75)(H,62,70)(H,63,71)(H,64,73)(H,65,72)(H,66,74)(H4,58,59,61)/t44-,45-,46-,47+,48-,49?/m0/s1
PubChem CID44314940
ChEMBLCHEMBL216617
IUPHARN/A
BindingDB50405770
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
187403Gonadotropin-releasing hormone receptorP30969GnrhrRattus norvegicus (Rat)327
187404Lutropin-choriogonadotropic hormone receptorP16235LhcgrRattus norvegicus (Rat)700

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