DrugDomain logoDrugDomain

Attributes

UniProt ID
P15474
Protein Name
3-dehydroquinate dehydratase
Ligand Name
(1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3-(PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE-1-CARBOXYLIC ACID
DrugBank ID
DB08485
PDB Ligand Accession
RP4
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
QMNMNSINKIFYBV-LMMKCTJWSA-N
SMILES
c1ccc(cc1)Sc2cccc(c2)C3=CC(CC(C3O)O)(C(=O)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Mol*
Structure: 2CJF
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Color Legend
Unassigned regionsLigand / hetero atomse2cjfA1e2cjfB1e2cjfC1e2cjfD1e2cjfE1e2cjfF1e2cjfG1e2cjfH1e2cjfI1e2cjfJ1e2cjfK1e2cjfL1
ECOD domains from experimental PDB structures interacting with ligand DB08485
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P15474DB08485RP42cjfe2cjfA1A:7-150
P15474DB08485RP42cjfe2cjfB1B:207-350
P15474DB08485RP42cjfe2cjfC1C:407-550
P15474DB08485RP42cjfe2cjfD1D:607-750
P15474DB08485RP42cjfe2cjfE1E:807-950
P15474DB08485RP42cjfe2cjfF1F:1007-1150
P15474DB08485RP42cjfe2cjfG1G:1207-1350
P15474DB08485RP42cjfe2cjfH1H:1407-1550
P15474DB08485RP42cjfe2cjfI1I:1607-1750
P15474DB08485RP42cjfe2cjfJ1J:1807-1950
P15474DB08485RP42cjfe2cjfK1K:2007-2150
P15474DB08485RP42cjfe2cjfL1L:2207-2350