Attributes
UniProt ID
Protein Name
Thymidylate synthase
Ligand Name
N-(4-{[(6S)-2-(hydroxymethyl)-4-oxo-4,6,7,8-tetrahydro-1H-cyclopenta[g]quinazolin-6-yl](prop-2-yn-1-yl)amino}benzoyl)-L-gamma-glutamyl-D-glutamic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
NVHRBQOZEMFKLD-CUYJMHBOSA-N
SMILES
C#CCN(c1ccc(cc1)C(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C2CCc3c2cc4c(c3)NC(=NC4=O)CO
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 4ISK
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Color Legend
Unassigned regionsLigand / hetero atomse4iskA1e4iskB1e4iskC1e4iskD1e4iskE1e4iskF1e4iskG1e4iskH1
ECOD domains from experimental PDB structures interacting with ligand 1JY