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Ligand

NameCHEMBL237968
Molecular formulaC38H64IN11O8
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-iodophenyl)propanoyl]amino]-3-methylpentanamide
Molecular weight929.903
Hydrogen bond acceptor10
Hydrogen bond donor11
XlogP0.7
SynonymsN/A
Inchi KeyIEAAVOQUQXAYQJ-LCEIJQIJSA-N
Inchi IDInChI=1S/C38H64IN11O8/c1-7-21(5)30(32(41)53)49-36(57)28(17-23-11-13-24(39)14-12-23)48-34(55)26(10-9-15-44-38(42)43)46-29(52)18-45-37(58)31(22(6)8-2)50-35(56)27(16-20(3)4)47-33(54)25(40)19-51/h11-14,20-22,25-28,30-31,51H,7-10,15-19,40H2,1-6H3,(H2,41,53)(H,45,58)(H,46,52)(H,47,54)(H,48,55)(H,49,57)(H,50,56)(H4,42,43,44)/t21-,22-,25-,26-,27-,28-,30-,31-/m0/s1
PubChem CID44433874
ChEMBLCHEMBL237968
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
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GLASS IDNameUniProtGeneSpeciesLength
539294Proteinase-activated receptor 2P55085F2RL1Homo sapiens (Human)397

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