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Ligand

NameCHEMBL3143312
Molecular formulaC38H52FN9O8
IUPAC name(2S)-5-[[(2S)-2-[acetyl-[(E)-3-phenylprop-2-enoyl]amino]-3-(4-fluorophenyl)propanoyl]carbamoylamino]-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]pentanoic acid
Molecular weight781.887
Hydrogen bond acceptor11
Hydrogen bond donor8
XlogP-0.1
SynonymsN/A
Inchi KeyCBIHFXDACWBCSQ-PXKUSVDWSA-N
Inchi IDInChI=1S/C38H52FN9O8/c1-23(2)21-30(46-33(51)28(40)11-7-19-43-37(41)42)34(52)45-29(36(54)55)12-8-20-44-38(56)47-35(53)31(22-26-13-16-27(39)17-14-26)48(24(3)49)32(50)18-15-25-9-5-4-6-10-25/h4-6,9-10,13-18,23,28-31H,7-8,11-12,19-22,40H2,1-3H3,(H,45,52)(H,46,51)(H,54,55)(H4,41,42,43)(H2,44,47,53,56)/b18-15+/t28-,29-,30-,31-/m0/s1
PubChem CID90663347
ChEMBLCHEMBL3143312
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
37898Proteinase-activated receptor 1P25116F2RHomo sapiens (Human)425

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