Receptor
PDB id Resolution Class Description Source Keywords
6OB7 2.3 Å NON-ENZYME: TRANSPORT HUMAN EQUILIBRATIVE NUCLEOSIDE TRANSPORTER-1, DILAZEP BOUND HOMO SAPIENS NUCLEOSIDE TRANSPORT ADENOSINE TRANSPORT NUCLEOSIDE-DRUG TADENOSINE REUPTAKE INHIBITOR SLC29 HENT1 ENT DILAZEP TPROTEIN
Ref.: STRUCTURES OF HUMAN ENT1 IN COMPLEX WITH ADENOSINE INHIBITORS. NAT.STRUCT.MOL.BIOL. V. 26 599 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OLC A:616;
A:617;
A:609;
A:607;
A:602;
A:601;
A:603;
A:605;
A:615;
A:611;
A:606;
A:604;
A:608;
A:612;
A:610;
A:614;
A:613;
A:618;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
356.54 C21 H40 O4 CCCCC...
8DZ A:619;
 Valid;
 none;
 submit data
604.688 C31 H44 N2 O10 COc1c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6OB7 2.3 Å NON-ENZYME: TRANSPORT HUMAN EQUILIBRATIVE NUCLEOSIDE TRANSPORTER-1, DILAZEP BOUND HOMO SAPIENS NUCLEOSIDE TRANSPORT ADENOSINE TRANSPORT NUCLEOSIDE-DRUG TADENOSINE REUPTAKE INHIBITOR SLC29 HENT1 ENT DILAZEP TPROTEIN
Ref.: STRUCTURES OF HUMAN ENT1 IN COMPLEX WITH ADENOSINE INHIBITORS. NAT.STRUCT.MOL.BIOL. V. 26 599 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 6OB7 - 8DZ C31 H44 N2 O10 COc1cc(cc(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 197 families.
1 6OB7 - 8DZ C31 H44 N2 O10 COc1cc(cc(....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 165 families.
1 6OB7 - 8DZ C31 H44 N2 O10 COc1cc(cc(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 8DZ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 8DZ 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 8DZ; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6OB7; Ligand: 8DZ; 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: 6ob7.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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