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Ligand

NameCHEMBL275694
Molecular formulaC55H71N11O9
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-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]-N-ethylpyrrolidine-2-carboxamide
Molecular weight1030.24
Hydrogen bond acceptor10
Hydrogen bond donor11
XlogP3.9
SynonymsBDBM50405769
Inchi KeyJMYJIWQFRKOEDL-LJXBCJFASA-N
Inchi IDInChI=1S/C55H71N11O9/c1-4-58-53(74)47-19-11-27-66(47)54(75)42(18-10-26-59-55(56)57)62-49(70)43(28-33(2)3)63-51(72)45(30-37-31-60-41-17-8-7-16-40(37)41)65-50(71)44(29-34-20-23-38(68)24-21-34)64-52(73)46(32-67)61-48(69)25-22-36-14-9-13-35-12-5-6-15-39(35)36/h5-9,12-17,20-21,23-24,31,33,42-47,60,67-68H,4,10-11,18-19,22,25-30,32H2,1-3H3,(H,58,74)(H,61,69)(H,62,70)(H,63,72)(H,64,73)(H,65,71)(H4,56,57,59)/t42-,43-,44-,45+,46-,47?/m0/s1
PubChem CID44315218
ChEMBLCHEMBL275694
IUPHARN/A
BindingDB50405769
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
154841Lutropin-choriogonadotropic hormone receptorP16235LhcgrRattus norvegicus (Rat)700

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