Receptor
PDB id Resolution Class Description Source Keywords
3pgl 2.35 Å EC: 3.1.3.16 CRYSTAL STRUCTURE OF HUMAN SMALL C-TERMINAL DOMAIN PHOSPHATA (SCP1) BOUND TO RABEPRAZOLE HOMO SAPIENS HAD FAMILY INSERTION DOMAIN CTD PHOSPHATASE NEURONAL SILEHYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: SELECTIVE INACTIVATION OF A HUMAN NEURONAL SILENCIN PHOSPHATASE BY A SMALL MOLECULE INHIBITOR. ACS CHEM.BIOL. V. 6 511 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:1;
B:1;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
24.305 Mg [Mg+2...
RZX A:257;
 Valid;
 none;
 Ki = 5 uM
359.443 C18 H21 N3 O3 S Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3PGL 2.35 Å EC: 3.1.3.16 CRYSTAL STRUCTURE OF HUMAN SMALL C-TERMINAL DOMAIN PHOSPHATA (SCP1) BOUND TO RABEPRAZOLE HOMO SAPIENS HAD FAMILY INSERTION DOMAIN CTD PHOSPHATASE NEURONAL SILEHYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: SELECTIVE INACTIVATION OF A HUMAN NEURONAL SILENCIN PHOSPHATASE BY A SMALL MOLECULE INHIBITOR. ACS CHEM.BIOL. V. 6 511 2011
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 2GHT - SER TYR SER PRO THR SEP PRO SER n/a n/a
2 3PGL Ki = 5 uM RZX C18 H21 N3 O3 S Cc1c(ccnc1....
3 2GHQ - PRO SER TYR SEP PRO THR SEP PRO SER n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 2GHT - SER TYR SER PRO THR SEP PRO SER n/a n/a
2 3PGL Ki = 5 uM RZX C18 H21 N3 O3 S Cc1c(ccnc1....
3 2GHQ - PRO SER TYR SEP PRO THR SEP PRO SER n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 2GHT - SER TYR SER PRO THR SEP PRO SER n/a n/a
2 3PGL Ki = 5 uM RZX C18 H21 N3 O3 S Cc1c(ccnc1....
3 2GHQ - PRO SER TYR SEP PRO THR SEP PRO SER n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: RZX; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 RZX 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: RZX; 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 : 3PGL; Ligand: RZX; 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: 3pgl.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback