Receptor
PDB id Resolution Class Description Source Keywords
3K3G 2.4 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF THE UREA TRANSPORTER FROM DESULFOVIBRIO BOUND TO 1,3-DIMETHYLUREA DESULFOVIBRIO VULGARIS MEMBRANE PROTEIN CHANNEL UREA TRANSPORT TRANSPORTER TRANPROTEIN STRUCTURAL GENOMICS PSI-2 PROTEIN STRUCTURE INITNEW YORK CONSORTIUM ON MEMBRANE PROTEIN STRUCTURE NYCOMPS
Ref.: CRYSTAL STRUCTURE OF A BACTERIAL HOMOLOGUE OF THE K UREA TRANSPORTER. NATURE V. 462 757 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AU A:338;
A:339;
A:340;
A:341;
A:342;
A:343;
A:344;
A:345;
A:346;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
196.967 Au [Au+]
MMU A:347;
A:348;
Valid;
Valid;
none;
none;
ic50 = 1.4 mM
88.108 C3 H8 N2 O CNC(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3K3G 2.4 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF THE UREA TRANSPORTER FROM DESULFOVIBRIO BOUND TO 1,3-DIMETHYLUREA DESULFOVIBRIO VULGARIS MEMBRANE PROTEIN CHANNEL UREA TRANSPORT TRANSPORTER TRANPROTEIN STRUCTURAL GENOMICS PSI-2 PROTEIN STRUCTURE INITNEW YORK CONSORTIUM ON MEMBRANE PROTEIN STRUCTURE NYCOMPS
Ref.: CRYSTAL STRUCTURE OF A BACTERIAL HOMOLOGUE OF THE K UREA TRANSPORTER. NATURE V. 462 757 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 3K3G ic50 = 1.4 mM MMU C3 H8 N2 O CNC(=O)NC
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 families.
1 3K3G ic50 = 1.4 mM MMU C3 H8 N2 O CNC(=O)NC
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 families.
1 3K3G ic50 = 1.4 mM MMU C3 H8 N2 O CNC(=O)NC
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MMU; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 MMU 1 1
2 NMU 0.5 0.894737
3 XRG 0.428571 0.692308
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3K3G; Ligand: MMU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3k3g.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3K3G; Ligand: MMU; 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: 3k3g.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3K3G; Ligand: MMU; 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: 3k3g.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3K3G; Ligand: MMU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3k3g.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3K3G; Ligand: MMU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3k3g.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3K3G; Ligand: MMU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3k3g.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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