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Ligand

NameCHEMBL96530
Molecular formulaC26H37N5O7
IUPAC name(3S)-4-amino-3-[[2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid
Molecular weight531.61
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP1.5
Synonyms3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-4-methyl-pentanoylamino}-succinamic acid
BDBM50026296
Inchi KeyDZCBXTWKCFKQPR-WMEOFMBSSA-N
Inchi IDInChI=1S/C26H37N5O7/c1-14(2)10-19(23(35)29-18(22(27)34)12-21(32)33)30-24(36)20(31-25(37)38-26(3,4)5)11-15-13-28-17-9-7-6-8-16(15)17/h6-9,13-14,18-20,28H,10-12H2,1-5H3,(H2,27,34)(H,29,35)(H,30,36)(H,31,37)(H,32,33)/t18-,19?,20-/m0/s1
PubChem CID44326564
ChEMBLCHEMBL96530
IUPHARN/A
BindingDB50026296
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
72504Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452
72503Histamine H2 receptorP25102Hrh2Rattus norvegicus (Rat)358

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