Ligand

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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
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SHOW
Class B acid phosphatase P0AE22 (APHA_ECOLI) Escherichia coli 2B8J
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SHOW
NAD 5'-nucleotidase P44569 (5NTD_HAEIN) Haemophilus influenzae 3ZTV
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SHOW
Protein UshA P07024 (USHA_ECOLI) Escherichia coli 1HO5
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SHOW