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Ligand

NameWKYMVm
Molecular formulaC41H61N9O7S2
IUPAC name(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]hexanamide
Molecular weight856.115
Hydrogen bond acceptor11
Hydrogen bond donor10
XlogP1.5
Synonyms(S)-6-amino-2-((S)-2-amino-3-(1H-indol-3-yl)propanamido)-N-((5R,8S,11S,14S)-5-carbamoyl-15-(4-hydroxyphenyl)-8-isopropyl-11-(2-(methylthio)ethyl)-7,10,13-trioxo-2-thia-6,9,12-triazapentadecan-14-yl)hexanamide
Trp-Lys-Tyr-Met-Val-D-Met-NH(2)
AKOS024456791
CHEMBL552527
Trp-Lys-Tyr-Met-Val-D-Met-NH2
[ Show all ]
Inchi KeyFMBGOORJEKQQLG-JUZZZACGSA-N
Inchi IDInChI=1S/C41H61N9O7S2/c1-24(2)35(41(57)46-31(36(44)52)16-19-58-3)50-39(55)33(17-20-59-4)48-40(56)34(21-25-12-14-27(51)15-13-25)49-38(54)32(11-7-8-18-42)47-37(53)29(43)22-26-23-45-30-10-6-5-9-28(26)30/h5-6,9-10,12-15,23-24,29,31-35,45,51H,7-8,11,16-22,42-43H2,1-4H3,(H2,44,52)(H,46,57)(H,47,53)(H,48,56)(H,49,54)(H,50,55)/t29-,31+,32-,33-,34-,35-/m0/s1
PubChem CID457933
ChEMBLCHEMBL552527
IUPHARN/A
BindingDB50295513
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
81774fMet-Leu-Phe receptorP21462FPR1Homo sapiens (Human)350
81773N-formyl peptide receptor 2P25090FPR2Homo sapiens (Human)351
81775N-formyl peptide receptor 3P25089FPR3Homo sapiens (Human)353

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