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Ligand

NameCHEMBL3143277
Molecular formulaC36H48FN11O5S
IUPAC nameN-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[4-(diaminomethylideneamino)phenyl]-1-oxopropan-2-yl]amino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]thiophene-2-carboxamide
Molecular weight765.91
Hydrogen bond acceptor9
Hydrogen bond donor9
XlogP1.7
SynonymsN/A
Inchi KeyATWPMNBULMFRAH-LJWNLINESA-N
Inchi IDInChI=1S/C36H48FN11O5S/c1-20(2)17-26(31(50)45-25(30(38)49)5-3-15-43-35(39)40)46-32(51)27(19-22-9-13-24(14-10-22)44-36(41)42)47-33(52)28(18-21-7-11-23(37)12-8-21)48-34(53)29-6-4-16-54-29/h4,6-14,16,20,25-28H,3,5,15,17-19H2,1-2H3,(H2,38,49)(H,45,50)(H,46,51)(H,47,52)(H,48,53)(H4,39,40,43)(H4,41,42,44)/t25-,26-,27-,28-/m0/s1
PubChem CID11803290
ChEMBLCHEMBL3143277
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.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
14385Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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