Ligand

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Ligand Name:   3'-azido-3'-deoxythymidine
HET ID:   AZZ PubChem:   35370
DrugBank:   DB00495 ChEMBL:   CHEMBL129
Canonical SMILES:   OC[C@H]1O[C@H](C[C@@H]1N=[N+]=[N-])n1cc(C)c(=O)[nH]c1=O
Standard InChI:   InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
Molecular Formula:   C10H13N5O4 Mol. Weight:   267.24133 Heavy Atoms:   19
Charge:   0 Is Chiral:   True logP:   -0.74354
HBD:   2 HBA:   6 TPSA:   134.07
#Bonds:   24 #Rotatable Bonds:   3 Shape Complexity:   0.6
Stereocomplexity:   0.3
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Glycogen phosphorylase, muscle form P00489 (PYGM_RABIT) Oryctolagus cuniculus 3BCR
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