Ligand |
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Ligand Name: N(4)-hydroxy-2'-deoxycytidine-5'-monophosphate | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB1147 | PubChem: 159652 | |
Synonym(s):
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DrugBank: - | ChEMBL: CHEMBL1161227 | |
Canonical SMILES: ONc1ccn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)n1 | ||
Standard InChI: InChI=1S/C9H14N3O8P/c13-5-3-8(20-6(5)4-19-21(16,17)18)12-2-1-7(11-15)10-9(12)14/h1-2,5-6,8,13,15H,3-4H2,(H,10,11,14)(H2,16,17,18)/t5-,6+,8+/m0/s1 | ||
Molecular Formula: C9H14N3O8P | Mol. Weight: 323.05185 | logP: -1.1979 |
HBD: 5 | HBA: 9 | |
#Rotatable Bonds: 5 | TPSA: 163.37 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Thymidylate synthase | P07607 (TYSY_MOUSE) | Mus musculus (Mouse) | 4EZ8 | NOH |
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