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Ligand

NameCHEMBL398099
Molecular formulaC40H69N11O10
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-(3,4-dimethoxyphenyl)propanoyl]amino]-3-methylpentanamide
Molecular weight864.059
Hydrogen bond acceptor12
Hydrogen bond donor11
XlogP0.0
SynonymsN/A
Inchi KeyAFBLQSUDZMFKPR-UZEWJKLQSA-N
Inchi IDInChI=1S/C40H69N11O10/c1-9-22(5)32(34(42)54)50-38(58)28(17-24-13-14-29(60-7)30(18-24)61-8)49-36(56)26(12-11-15-45-40(43)44)47-31(53)19-46-39(59)33(23(6)10-2)51-37(57)27(16-21(3)4)48-35(55)25(41)20-52/h13-14,18,21-23,25-28,32-33,52H,9-12,15-17,19-20,41H2,1-8H3,(H2,42,54)(H,46,59)(H,47,53)(H,48,55)(H,49,56)(H,50,58)(H,51,57)(H4,43,44,45)/t22-,23-,25-,26-,27-,28-,32-,33-/m0/s1
PubChem CID44433887
ChEMBLCHEMBL398099
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
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GLASS IDNameUniProtGeneSpeciesLength
536026Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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