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Ligand

NameCHEMBL407831
Molecular formulaC51H63N7O12
IUPAC name(4S)-4-[[(2S)-2-[[(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]-3-carboxypropanoyl]amino]-5-[[(2S,3S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Molecular weight966.102
Hydrogen bond acceptor12
Hydrogen bond donor10
XlogP4.6
SynonymsN/A
Inchi KeyCCAAGSMVZYZUEO-UKAMVYAJSA-N
Inchi IDInChI=1S/C51H63N7O12/c1-6-28(4)44(49(67)57-40(51(69)70)24-32-26-52-36-18-12-11-15-33(32)36)58-46(64)37(21-22-41(60)61)54-48(66)39(25-42(62)63)55-47(65)38(23-27(2)3)56-50(68)45(53-29(5)59)43-34-16-9-7-13-30(34)19-20-31-14-8-10-17-35(31)43/h7-18,26-28,37-40,43-45,52H,6,19-25H2,1-5H3,(H,53,59)(H,54,66)(H,55,65)(H,56,68)(H,57,67)(H,58,64)(H,60,61)(H,62,63)(H,69,70)/t28-,37-,38-,39-,40-,44-,45+/m0/s1
PubChem CID44304765
ChEMBLCHEMBL407831
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
443204Endothelin-1 receptorQ29010EDNRASus scrofa (Pig)427

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