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Ligand

NameCHEMBL438022
Molecular formulaC63H71N7O10
IUPAC name(3S)-3-[[(2S)-2-[[(2R)-2-acetamido-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]amino]-4-methylpentanoyl]amino]-4-[[(1R)-2-[[(2S,3S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxo-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethyl]amino]-4-oxobutanoic acid
Molecular weight1086.3
Hydrogen bond acceptor10
Hydrogen bond donor9
XlogP8.4
SynonymsN/A
Inchi KeyFNYSCZZQIABJEM-FXEOECAFSA-N
Inchi IDInChI=1S/C63H71N7O10/c1-6-36(4)55(60(76)68-51(63(79)80)32-42-34-64-48-26-16-15-21-43(42)48)69-62(78)57(54-46-24-13-9-19-40(46)29-30-41-20-10-14-25-47(41)54)70-59(75)50(33-52(72)73)66-58(74)49(31-35(2)3)67-61(77)56(65-37(5)71)53-44-22-11-7-17-38(44)27-28-39-18-8-12-23-45(39)53/h7-26,34-36,49-51,53-57,64H,6,27-33H2,1-5H3,(H,65,71)(H,66,74)(H,67,77)(H,68,76)(H,69,78)(H,70,75)(H,72,73)(H,79,80)/t36-,49-,50-,51-,55-,56+,57+/m0/s1
PubChem CID44304522
ChEMBLCHEMBL438022
IUPHARN/A
BindingDBN/A
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.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
83041Endothelin-1 receptorQ29010EDNRASus scrofa (Pig)427

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