Structure of PDB 6el5 Chain A Binding Site BS01 |
|
|
Ligand ID | PU1 |
InChI | InChI=1S/C20H21ClFN5O3/c1-5-6-7-8-27-13(24-15-18(23)25-20(22)26-19(15)27)10-11-9-12(28-2)16(29-3)17(30-4)14(11)21/h1,9H,6-8,10H2,2-4H3,(H2,23,25,26) |
InChIKey | KCIOVTSUEXGUFJ-UHFFFAOYSA-N |
SMILES | Software | SMILES |
---|
ACDLabs 10.04 | Clc1c(OC)c(OC)c(OC)cc1Cc3nc2c(nc(F)nc2n3CCCC#C)N | CACTVS 3.341 | COc1cc(Cc2nc3c(N)nc(F)nc3n2CCCC#C)c(Cl)c(OC)c1OC | OpenEye OEToolkits 1.5.0 | COc1cc(c(c(c1OC)OC)Cl)Cc2nc3c(nc(nc3n2CCCC#C)F)N |
|
Formula | C20 H21 Cl F N5 O3 |
Name | 8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-2-FLUORO-9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE |
ChEMBL | CHEMBL112953 |
DrugBank | DB02550 |
ZINC | ZINC000001552694
|
PDB chain | 6el5 Chain A Residue 301
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
Enzyme Commision number |
3.6.4.10: non-chaperonin molecular chaperone ATPase. |
|
|
|