Attributes
UniProt ID
Protein Name
Metallo-beta-lactamase NDM-1
Ligand Name
(2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
KSLAOLVLEKIZMQ-ZXFLCMHBSA-N
SMILES
CC(C(C1CC(=C(N1)C(=O)O)SCCNC=N)C(=O)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 5YPI
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Color Legend
Unassigned regionsLigand / hetero atomse5ypiA1e5ypiB1e5ypiC1e5ypiD1e5ypiE1e5ypiF1e5ypiG1e5ypiH1
ECOD domains from experimental PDB structures interacting with ligand 8YF
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| A0A0A7Y424 | n/a | 8YF | 5ypi | e5ypiA1 | A:43-270 |
| A0A0A7Y424 | n/a | 8YF | 5ypi | e5ypiB1 | B:43-270 |
| A0A0A7Y424 | n/a | 8YF | 5ypi | e5ypiC1 | C:43-270 |
| A0A0A7Y424 | n/a | 8YF | 5ypi | e5ypiD1 | D:43-270 |
| A0A0A7Y424 | n/a | 8YF | 5ypi | e5ypiE1 | E:43-270 |
| A0A0A7Y424 | n/a | 8YF | 5ypi | e5ypiF1 | F:43-270 |
| A0A0A7Y424 | n/a | 8YF | 5ypi | e5ypiG1 | G:43-270 |
| A0A0A7Y424 | n/a | 8YF | 5ypi | e5ypiH1 | H:43-270 |