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Ligand

NameCHEMBL278937
Molecular formulaC42H73N11O8
IUPAC name(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-tert-butylphenyl)propanoyl]amino]-3-methylpentanamide
Molecular weight860.115
Hydrogen bond acceptor10
Hydrogen bond donor11
XlogP1.7
SynonymsN/A
Inchi KeyJHXIXDXUDGOIGR-WTDHRRPASA-N
Inchi IDInChI=1S/C42H73N11O8/c1-10-24(5)33(35(44)56)52-39(60)31(20-26-14-16-27(17-15-26)42(7,8)9)51-37(58)29(13-12-18-47-41(45)46)49-32(55)21-48-40(61)34(25(6)11-2)53-38(59)30(19-23(3)4)50-36(57)28(43)22-54/h14-17,23-25,28-31,33-34,54H,10-13,18-22,43H2,1-9H3,(H2,44,56)(H,48,61)(H,49,55)(H,50,57)(H,51,58)(H,52,60)(H,53,59)(H4,45,46,47)/t24-,25-,28-,29-,30-,31-,33-,34-/m0/s1
PubChem CID44433873
ChEMBLCHEMBL278937
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
539868Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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