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Ligand

NameCHEMBL237961
Molecular formulaC39H67N11O9
IUPAC name(2S,3S)-N-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanamide
Molecular weight834.033
Hydrogen bond acceptor11
Hydrogen bond donor12
XlogP0.0
SynonymsN/A
Inchi KeyFMQVIBNKWVRTPC-APYWWOEASA-N
Inchi IDInChI=1S/C39H67N11O9/c1-7-23(6)32(50-37(58)30(18-22(4)5)48-34(55)26(40)20-51)38(59)45-19-31(53)46-28(9-8-16-44-39(42)43)35(56)49-29(17-21(2)3)36(57)47-27(33(41)54)15-12-24-10-13-25(52)14-11-24/h10-11,13-14,21-23,26-30,32,51-52H,7-9,12,15-20,40H2,1-6H3,(H2,41,54)(H,45,59)(H,46,53)(H,47,57)(H,48,55)(H,49,56)(H,50,58)(H4,42,43,44)/t23-,26-,27-,28-,29-,30-,32-/m0/s1
PubChem CID44433967
ChEMBLCHEMBL237961
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
538027Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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