DrugDomain logoDrugDomain

Attributes

UniProt ID
P15474
Protein Name
3-dehydroquinate dehydratase
Ligand Name
(1S,3R,4R,5S)-1,3,4-TRIHYDROXY-5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID
DrugBank ID
DB04656
PDB Ligand Accession
CA2
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
SCUFESRLGCQXRX-DCDXPUDHSA-N
SMILES
c1ccc(cc1)OCCCC2CC(CC(C2O)O)(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.

Mol*
Structure: 2BT4
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Color Legend
Unassigned regionsLigand / hetero atomse2bt4A1e2bt4B1e2bt4C1e2bt4D1e2bt4E1e2bt4F1e2bt4G1e2bt4H1e2bt4I1e2bt4J1e2bt4K1e2bt4L1
ECOD domains from experimental PDB structures interacting with ligand DB04656
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P15474DB04656CA22bt4e2bt4A1A:7-150
P15474DB04656CA22bt4e2bt4B1B:207-350
P15474DB04656CA22bt4e2bt4C1C:407-550
P15474DB04656CA22bt4e2bt4D1D:607-750
P15474DB04656CA22bt4e2bt4E1E:807-950
P15474DB04656CA22bt4e2bt4F1F:1007-1150
P15474DB04656CA22bt4e2bt4G1G:1207-1350
P15474DB04656CA22bt4e2bt4H1H:1407-1550
P15474DB04656CA22bt4e2bt4I1I:1607-1750
P15474DB04656CA22bt4e2bt4J1J:1807-1950
P15474DB04656CA22bt4e2bt4K1K:2007-2150
P15474DB04656CA22bt4e2bt4L1L:2207-2350