Ligand

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Ligand Name:   THYMIDINE
HET ID:   THM PubChem:   5789
DrugBank:   DB04485 ChEMBL:   CHEMBL52609
Canonical SMILES:   OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
Standard InChI:   InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1
Molecular Formula:   C10H14N2O5 Mol. Weight:   242.22856 Heavy Atoms:   17
Charge:   0 Is Chiral:   True logP:   -1.5143
HBD:   3 HBA:   6 TPSA:   104.55
#Bonds:   22 #Rotatable Bonds:   2 Shape Complexity:   0.6
Stereocomplexity:   0.3
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
5'-nucleotidase Q5SIP1 (Q5SIP1_THET8) Thermus thermophilus 2Z1A
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SHOW
Glycogen phosphorylase, muscle form P00489 (PYGM_RABIT) Oryctolagus cuniculus 3BCU
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SHOW