Structure of PDB 2z3m Chain B Binding Site BS01 |
|
|
Ligand ID | 3D1 |
InChI | InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1 |
InChIKey | OLXZPDWKRNYJJZ-RRKCRQDMSA-N |
SMILES | Software | SMILES |
---|
OpenEye OEToolkits 1.5.0 | c1nc(c2c(n1)n(cn2)C3CC(C(O3)CO)O)N | CACTVS 3.341 | Nc1ncnc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CO)O3 | ACDLabs 10.04 | n2c1c(ncnc1n(c2)C3OC(C(O)C3)CO)N | CACTVS 3.341 | Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO)O3 | OpenEye OEToolkits 1.5.0 | c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O)N |
|
Formula | C10 H13 N5 O3 |
Name | (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol; 2'-DEOXYADENOSINE |
ChEMBL | CHEMBL449329 |
DrugBank | |
ZINC | ZINC000001081581
|
PDB chain | 2z3m Chain B Residue 401
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
Enzyme Commision number |
2.3.2.6: lysine/arginine leucyltransferase. |
|
|
|