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Ligand

NameSB297006
Molecular formulaC18H18N2O5
IUPAC nameethyl (2S)-2-benzamido-3-(4-nitrophenyl)propanoate
Molecular weight342.351
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.3
Synonyms(S)-Ethyl-2-benzoylamino-3-(4-nitrophenyl)propionate
CS-0027745
AKOS024458038
HY-103361
SB 297006
[ Show all ]
Inchi KeyBEZXGSZPWXRHIN-INIZCTEOSA-N
Inchi IDInChI=1S/C18H18N2O5/c1-2-25-18(22)16(19-17(21)14-6-4-3-5-7-14)12-13-8-10-15(11-9-13)20(23)24/h3-11,16H,2,12H2,1H3,(H,19,21)/t16-/m0/s1
PubChem CID9840971
ChEMBLCHEMBL284954
IUPHARN/A
BindingDB50100041
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
22099C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355

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