Structure of PDB 1ldo Chain B Binding Site BS01 |
|
|
Ligand ID | SNR |
InChI | InChI=1S/C9H14N2O3S/c12-7(13)3-1-2-6-8-5(4-15-6)10-9(14)11-8/h5-6,8H,1-4H2,(H,12,13)(H2,10,11,14)/t5-,6-,8-/m0/s1 |
InChIKey | AINAXQHKYSZESH-HAFWLYHUSA-N |
SMILES | Software | SMILES |
---|
CACTVS 3.341 | OC(=O)CCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 | OpenEye OEToolkits 1.5.0 | C1[C@H]2[C@@H]([C@@H](S1)CCCC(=O)O)NC(=O)N2 | OpenEye OEToolkits 1.5.0 | C1C2C(C(S1)CCCC(=O)O)NC(=O)N2 | CACTVS 3.341 | OC(=O)CCC[CH]1SC[CH]2NC(=O)N[CH]12 | ACDLabs 10.04 | O=C1NC2C(SCC2N1)CCCC(=O)O |
|
Formula | C9 H14 N2 O3 S |
Name | NORBIOTIN; 4-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-4-YL)-BUTYRIC ACID |
ChEMBL | |
DrugBank | DB02674 |
ZINC |
|
PDB chain | 1ldo Chain B Residue 350
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
Enzyme Commision number |
? |
|
|
|