Ligand

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Ligand Name:   5'-CHLORO-5'-DEOXYADENOSINE
HET ID:   5CD PubChem:   5327118
DrugBank:   - ChEMBL:   CHEMBL404658
Canonical SMILES:   ClC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N
Standard InChI:   InChI=1S/C10H12ClN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1
Molecular Formula:   C10H12ClN5O3 Mol. Weight:   285.68698 Heavy Atoms:   19
Charge:   0 Is Chiral:   True logP:   -0.1523
HBD:   3 HBA:   8 TPSA:   119.31
#Bonds:   25 #Rotatable Bonds:   2 Shape Complexity:   0.5
Stereocomplexity:   0.4
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Adenosyl-chloride synthase A4X3Q0 (SALL_SALTO) Salinispora tropica 6RZ2
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