+Open data
-Basic information
Entry | Database: PDB chemical components / ID: TMQ | ||
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Name | Name: Comment | inhibitor*YM | |
-Chemical information
Composition | Formula: C19H24N5O3 / Number of atoms: 51 / Formula weight: 370.426 / Formal charge: 1 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: TMQ / Model coordinates PDB-ID: 1BZF | ||||
History |
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External links | UniChem / ChemSpider / PubChem / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
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-PDB entries
Showing all 6 items
PDB-1bzf:
NMR SOLUTION STRUCTURE AND DYNAMICS OF THE COMPLEX OF LACTOBACILLUS CASEI DIHYDROFOLATE REDUCTASE WITH THE NEW LIPOPHILIC ANTIFOLATE DRUG TRIMETREXATE, 22 STRUCTURES
PDB-2x9v:
High resolution structure of TbPTR1 with trimetrexate
PDB-3clb:
Structure of bifunctional TcDHFR-TS in complex with TMQ
PDB-3hbb:
Structures of dihydrofolate reductase-thymidylate synthase of Trypanosoma cruzi in the folate-free state and in complex with two antifolate drugs, trimetrexate and methotrexate
PDB-4m2x:
Mycobacterium tuberculosis dihydrofolate reductase complexed with trimetrexate (TMQ)
PDB-4xt8:
Crystal structure of Rv2671 from Mycobacterium tuberculosis in complex with NADP+ and trimetrexate