Ligand
Ligand Name:   3'-DEOXY-3'-BROMOACETAMIDO-THYMIDINE
Ligand Type:   non-polymer
Ligand ID:   COVPDB483 PubChem:   53871936
Synonym(s):  
  •   schembl7212402
  • 2-bromo-n-[(2s,3s,5r)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetamide
show 1 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   O=c1[nH]c(=O)n(cc1C)[C@H]2C[C@H](NC(=O)CBr)[C@H](O2)CO
Standard InChI:   InChI=1S/C12H16BrN3O5/c1-6-4-16(12(20)15-11(6)19)10-2-7(8(5-17)21-10)14-9(18)3-13/h4,7-8,10,17H,2-3,5H2,1H3,(H,14,18)(H,15,19,20)/t7-,8+,10+/m0/s1
Molecular Formula:   C12H16BrN3O5 Mol. Weight:   361.02734 logP:   -0.99548
HBD:   3 HBA:   6
#Rotatable Bonds:   4 TPSA:   113.42

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Ribonuclease pancreatic P61823 (RNAS1_BOVIN) Bos taurus (Bovine) 8RSA ADT
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