Structure of PDB 9euo Chain A Binding Site BS01 |
| >9euo Chain A (length=532) Species: 7227 (Drosophila melanogaster)
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DERETWSGKVDFLLSVIGFAVDLANVWRFPYLCYKNGGGAFLVPYGIMLA
VGGIPLFYMELALGQHNRKGAITCWGRLVPLFKGIGYAVVLIAFYVDFYY
NVIIAWSLRFFFASFTNSLPWTSCNNIWNTPNCRPFESQGFQSAASEYFN
RYILELNRSEGIHDLGAIKWDMALCLLIVYLICYFSLWKGISTSGKVVWF
TALFPYAALLILLIRGLTLPGSFLGIQYYLTPNFSAIYKAEVWADAATQV
FFSLGPGFGVLLAYASYNKYHNNVYKDALLTSFINSATSFIAGFVIFSVL
GYMAHTLGVRIEDVATEGPGLVFVVYPAAIATMPASTFWALIFFMMLATL
GLDSSFGGSEAIITALSDEFPKIKRNRELFVAGLFSLYFVVGLASCTQGG
FYFFHLLDRYAAGYSILVAVFFEAIAVSWIYGTNRFSEDIRDMIGFPPGR
YWQVCWRFVAPIFLLFITVYLLIGYEPLTYADYVYPSWANALGWCIAGSS
VVMIPAVAIFKLLSTPGSLRQRFTILTTPWRD |
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| Ligand ID | A1H8F |
| InChI | InChI=1S/C18H24ClN3O/c1-2-4-18(23)20-8-3-9-22-10-7-14-15-11-13(19)5-6-16(15)21-17(14)12-22/h5-6,11,21H,2-4,7-10,12H2,1H3,(H,20,23) |
| InChIKey | AUJJZIKBHNXABX-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | CCCC(=O)NCCCN1CCc2c3cc(ccc3[nH]c2C1)Cl | | CACTVS 3.385 | CCCC(=O)NCCCN1CCc2c(C1)[nH]c3ccc(Cl)cc23 |
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| Formula | C18 H24 Cl N3 O |
| Name | N-[3-(6-chloranyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]butanamide |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 9euo Chain A Residue 701
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