Ligand Download |
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Ligand Name: ADENOSINE | ||
HET ID: ADN | PubChem: 60961 | |
DrugBank: DB00640 | ChEMBL: CHEMBL477 | |
Canonical SMILES: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N | ||
Standard InChI: InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | ||
Molecular Formula: C10H13N5O4 | Mol. Weight: 267.24133 | Heavy Atoms: 19 |
Charge: 0 | Is Chiral: True | logP: -1.3988 |
HBD: 4 | HBA: 9 | TPSA: 139.54 |
#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 |
5'-nucleotidase | P21589 (5NTD_HUMAN) | Homo sapiens | 4H2G |
- |
- |
SHOW |
Class B acid phosphatase | P0AE22 (APHA_ECOLI) | Escherichia coli | 2B8J |
- |
- |
SHOW |
NAD 5'-nucleotidase | P44569 (5NTD_HAEIN) | Haemophilus influenzae | 3ZTV |
- |
- |
SHOW |
Protein UshA | P07024 (USHA_ECOLI) | Escherichia coli | 1HO5 |
- |
- |
SHOW |