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Receptor
PDB id Resolution Class Description Source Keywords
4PB2 2.3 Å NON-ENZYME: OTHER STRUCTURE OF VCCNT-7C8C BOUND TO 5-FLUOROURIDINE VIBRIO CHOLERAE SEROTYPE O1 MEMBRANE PROTEIN SODIUM-COUPLED TRANSPORTER DRUG TRANSPORTFLUOROURIDINE TRANSPORT PROTEIN
Ref.: STRUCTURAL BASIS OF NUCLEOSIDE AND NUCLEOSIDE DRUG SELECTIVITY BY CONCENTRATIVE NUCLEOSIDE TRANSPORTER ELIFE V. 3 03604 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA A:502;
Part of Protein;
none;
submit data
22.99 Na [Na+]
DMU A:503;
Invalid;
none;
submit data
482.562 C22 H42 O11 CCCCC...
5UD A:501;
Valid;
none;
Kd = 16 uM
262.192 C9 H11 F N2 O6 C1=C(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4PB2 2.3 Å NON-ENZYME: OTHER STRUCTURE OF VCCNT-7C8C BOUND TO 5-FLUOROURIDINE VIBRIO CHOLERAE SEROTYPE O1 MEMBRANE PROTEIN SODIUM-COUPLED TRANSPORTER DRUG TRANSPORTFLUOROURIDINE TRANSPORT PROTEIN
Ref.: STRUCTURAL BASIS OF NUCLEOSIDE AND NUCLEOSIDE DRUG SELECTIVITY BY CONCENTRATIVE NUCLEOSIDE TRANSPORTER ELIFE V. 3 03604 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4PB2 Kd = 16 uM 5UD C9 H11 F N2 O6 C1=C(C(=O)....
2 4PD6 Kd = 36 uM URI C9 H12 N2 O6 C1=CN(C(=O....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4PB2 Kd = 16 uM 5UD C9 H11 F N2 O6 C1=C(C(=O)....
2 4PD6 Kd = 36 uM URI C9 H12 N2 O6 C1=CN(C(=O....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4PB2 Kd = 16 uM 5UD C9 H11 F N2 O6 C1=C(C(=O)....
2 4PD6 Kd = 36 uM URI C9 H12 N2 O6 C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 5UD; Similar ligands found: 23
No: Ligand ECFP6 Tc MDL keys Tc
1 5UD 1 1
2 GPK 0.9 0.953125
3 DK4 0.732143 0.921875
4 5FU 0.683333 0.859155
5 GPQ 0.59322 0.923077
6 GPU 0.57377 0.923077
7 GP0 0.5625 0.897059
8 D1M 0.546875 0.863636
9 URI 0.5 0.920635
10 D1J 0.492958 0.814286
11 F01 0.492063 0.925373
12 ZEB 0.483333 0.890625
13 DHZ 0.467742 0.890625
14 CJB 0.453125 0.875
15 5BU 0.450704 0.833333
16 2TU 0.4375 0.823529
17 BRD 0.4375 0.84375
18 CNU 0.432432 0.77027
19 UFP 0.430556 0.786667
20 5GW 0.409639 0.783784
21 URD 0.40625 0.8125
22 CTD 0.40625 0.859375
23 5AE 0.4 0.820895
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4PB2; Ligand: 5UD; Similar sites found with APoc: 19
This union binding pocket(no: 1) in the query (biounit: 4pb2.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 5DQ8 FLF 1.25
2 1RHC F42 ACN 1.81818
3 4U8P FDA 1.88679
4 4U8P UDP 1.88679
5 1RPN GDP 2.38806
6 4I42 1HA 2.45614
7 1I7A FLC 2.7027
8 1ME8 RVP 2.83019
9 2DX7 CIT 3.50877
10 4S00 AKR 3.53774
11 4F0B GDS 3.57143
12 5KY3 GFB 4.95283
13 1RQ2 CIT 5.2356
14 2VBF TPP 5.89623
15 1N1D C2G 6.20155
16 5EHR 5OD 6.83962
17 4XQM MAN 9.57447
18 2FLI DX5 10
19 4WAS COO 19.8113
Pocket No.: 2; Query (leader) PDB : 4PB2; Ligand: 5UD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4pb2.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4PB2; Ligand: 5UD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4pb2.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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