Structure of PDB 6m83 Chain A Binding Site BS01 |
|
|
Ligand ID | SAH |
InChI | InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1 |
InChIKey | ZJUKTBDSGOFHSH-WFMPWKQPSA-N |
SMILES | Software | SMILES |
---|
CACTVS 3.341 | N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O | OpenEye OEToolkits 1.5.0 | c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N | CACTVS 3.341 | N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O | ACDLabs 10.04 | O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | OpenEye OEToolkits 1.5.0 | c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N |
|
Formula | C14 H20 N6 O5 S |
Name | S-ADENOSYL-L-HOMOCYSTEINE |
ChEMBL | CHEMBL418052 |
DrugBank | DB01752 |
ZINC | ZINC000004228232
|
PDB chain | 6m83 Chain A Residue 301
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
Enzyme Commision number |
2.1.1.235: dTDP-3-amino-3,6-dideoxy-alpha-D-glucopyranose N,N-dimethyltransferase. |
|
|
|