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Ligand

NameCHEMBL315384
Molecular formulaC43H54N6O8
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
Molecular weight782.939
Hydrogen bond acceptor8
Hydrogen bond donor8
XlogP4.9
SynonymsAc-D-Phe-Tyr-Ile-Ile-Trp
BDBM50045252
Inchi KeyGFCOMJOGVMUFPE-OSXYACSBSA-N
Inchi IDInChI=1S/C43H54N6O8/c1-6-25(3)37(41(54)47-36(43(56)57)23-30-24-44-33-16-12-11-15-32(30)33)49-42(55)38(26(4)7-2)48-40(53)35(22-29-17-19-31(51)20-18-29)46-39(52)34(45-27(5)50)21-28-13-9-8-10-14-28/h8-20,24-26,34-38,44,51H,6-7,21-23H2,1-5H3,(H,45,50)(H,46,52)(H,47,54)(H,48,53)(H,49,55)(H,56,57)/t25-,26-,34+,35-,36-,37-,38-/m0/s1
PubChem CID44321074
ChEMBLCHEMBL315384
IUPHARN/A
BindingDB50045252
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
94947Endothelin receptor type BP21451EdnrbRattus norvegicus (Rat)442
94948Endothelin-1 receptorP25101EDNRAHomo sapiens (Human)427

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