Substrate: monomer

Details for Substrate BDBM23618 without Explicit Binding Affinity Data

Binding Enzyme 1:

Equilibrative nucleoside transporter 1

Synonyms:

5-(SAENTA)-X8-fluorescein | 5-[(5-{[2-({[(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-{[(4-nitrophenyl)methyl]amino}-9H-purin-9-yl)oxolan-2-yl]methyl}sulfanyl)ethyl]carbamoyl}pentyl)carbamoyl]-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid

Type:

Fluorescent probe

Emp. Form.:

C46H44N8O12S

Mol. Mass.:

932.953 g/mol

SMILES:

O[C@@H]1[C@@H](CSCCNC(=O)CCCCCNC(=O)c2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)O[C@H]([C@@H]1O)n1cnc2c(NCc3ccc(cc3)[N+]([O-])=O)ncnc12 |r,wU:2.2,44.51,wD:1.0,45.50,(15.72,-6.42,;16.68,-5.22,;16.26,-3.73,;16.26,-2.19,;14.93,-1.42,;13.6,-2.19,;12.26,-1.42,;10.93,-2.19,;9.6,-1.42,;9.6,.12,;8.26,-2.19,;6.93,-1.42,;5.59,-2.19,;4.26,-1.42,;2.93,-2.19,;1.59,-1.42,;.26,-2.19,;.26,-3.73,;-1.07,-1.42,;-2.41,-2.19,;-3.74,-1.42,;-3.74,.12,;-2.41,.89,;-1.07,.12,;-2.41,2.43,;-.88,2.63,;-2.81,3.91,;-5.07,.89,;-6.41,.12,;-6.41,-1.42,;-7.74,-2.19,;-9.08,-1.42,;-10.41,-2.19,;-9.08,.12,;-7.74,.89,;-7.74,2.43,;-6.41,3.2,;-6.41,4.74,;-5.07,5.51,;-5.07,7.05,;-3.74,4.74,;-3.74,3.2,;-5.07,2.43,;17.55,-2.88,;18.75,-3.84,;18.22,-5.28,;19.07,-6.56,;19.15,-2.35,;18.22,-1.12,;19.1,.14,;20.58,-.31,;21.9,.49,;21.87,2.03,;23.2,2.8,;24.54,2.03,;25.87,2.8,;27.2,2.03,;27.2,.49,;25.87,-.28,;24.54,.49,;28.54,-.28,;28.54,-1.82,;29.87,.49,;23.25,-.26,;23.27,-1.8,;21.96,-2.59,;20.61,-1.85,)|

Structure:

Courtesy of Chemaxon Inc.
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