Receptor
PDB id Resolution Class Description Source Keywords
4F9C 2.08 Å EC: 2.7.11.1 HUMAN CDC7 KINASE IN COMPLEX WITH DBF4 AND XL413 HOMO SAPIENS SER/THR PROTEIN KINASE TRANSFERASE PHOSPHORYLATION CELL CCELL DIVISION MITOSIS S PHASE SERINE/THREONINE-PROTEIN KDBF4-DEPENDENT KINASE DDK ATP-BINDING NUCLEOTIDE-BINDINGBINDING NUCLEUS TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: CRYSTAL STRUCTURE OF HUMAN CDC7 KINASE IN COMPLEX W ACTIVATOR DBF4. NAT.STRUCT.MOL.BIOL. V. 19 1101 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
0SX A:601;
Valid;
none;
submit data
289.717 C14 H12 Cl N3 O2 c1cc2...
ZN B:401;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4F9C 2.08 Å EC: 2.7.11.1 HUMAN CDC7 KINASE IN COMPLEX WITH DBF4 AND XL413 HOMO SAPIENS SER/THR PROTEIN KINASE TRANSFERASE PHOSPHORYLATION CELL CCELL DIVISION MITOSIS S PHASE SERINE/THREONINE-PROTEIN KDBF4-DEPENDENT KINASE DDK ATP-BINDING NUCLEOTIDE-BINDINGBINDING NUCLEUS TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: CRYSTAL STRUCTURE OF HUMAN CDC7 KINASE IN COMPLEX W ACTIVATOR DBF4. NAT.STRUCT.MOL.BIOL. V. 19 1101 2012
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 117 families.
1 4F99 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 4F9C - 0SX C14 H12 Cl N3 O2 c1cc2c(cc1....
3 4F9B - 0SY C12 H11 N3 O c1cnccc1c2....
4 4F9A - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 91 families.
1 4F99 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 4F9C - 0SX C14 H12 Cl N3 O2 c1cc2c(cc1....
3 4F9B - 0SY C12 H11 N3 O c1cnccc1c2....
4 4F9A - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 60 families.
1 4F99 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 4F9C - 0SX C14 H12 Cl N3 O2 c1cc2c(cc1....
3 4F9B - 0SY C12 H11 N3 O c1cnccc1c2....
4 4F9A - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 0SX; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 0SX 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4F9C; Ligand: 0SX; Similar sites found with APoc: 11
This union binding pocket(no: 1) in the query (biounit: 4f9c.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 3LXK MI1 8.56269
2 3LXN MI1 24.8428
3 5LI1 ANP 24.8588
4 1XJD STU 28.1159
5 4WB7 ATP 31.0249
6 2QCS ANP 31.4286
7 5WO4 B7V 33.7748
8 6C7Y ADP 35.6643
9 6CMJ F6J 36.5651
10 6C0T EE4 41.4986
11 5HQ0 LZ9 48.3444
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