Receptor
PDB id Resolution Class Description Source Keywords
6GU6 2.33 Å EC: 2.7.11.22 CDK1/CKS2 IN COMPLEX WITH DINACICLIB HOMO SAPIENS CDK1 CKS2 INHIBITOR CELL CYCLE
Ref.: DIFFERENCES IN THE CONFORMATIONAL ENERGY LANDSCAPE AND CDK2 SUGGEST A MECHANISM FOR ACHIEVING SELECTIV INHIBITION. CELL CHEM BIOL V. 26 121 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1QK A:301;
Valid;
none;
Kd = 1810 nM
397.494 C21 H29 N6 O2 CCc1c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6GU6 2.33 Å EC: 2.7.11.22 CDK1/CKS2 IN COMPLEX WITH DINACICLIB HOMO SAPIENS CDK1 CKS2 INHIBITOR CELL CYCLE
Ref.: DIFFERENCES IN THE CONFORMATIONAL ENERGY LANDSCAPE AND CDK2 SUGGEST A MECHANISM FOR ACHIEVING SELECTIV INHIBITION. CELL CHEM BIOL V. 26 121 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 6GU6 Kd = 1810 nM 1QK C21 H29 N6 O2 CCc1cnn2c1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 6GU6 Kd = 1810 nM 1QK C21 H29 N6 O2 CCc1cnn2c1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 6GU6 Kd = 1810 nM 1QK C21 H29 N6 O2 CCc1cnn2c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 1QK; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 1QK 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 1QK; Similar ligands found: 7
No: Ligand Similarity coefficient
1 NS9 0.9211
2 RRC 0.8869
3 404 0.8862
4 SCZ 0.8715
5 SCW 0.8648
6 6SC 0.8620
7 2SC 0.8610
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6GU6; Ligand: 1QK; Similar sites found with APoc: 36
This union binding pocket(no: 1) in the query (biounit: 6gu6.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 6JKM ADP 24.8344
2 6G34 5ID 29.6919
3 5LPB ADP 31.7568
4 4IDT T28 32.4503
5 5WNL STU 34.7682
6 5WNL STU 34.7682
7 3IOK 1P6 35.0993
8 3VRY B43 35.4305
9 1BYG STU 36.6906
10 2Z7R STU 36.755
11 1U5R ATP 37.4172
12 6F3G CJN 38.3051
13 6F3G CJN 38.3051
14 4NW6 2NS 38.7417
15 3SRV S19 40.4332
16 3SRV S19 40.4332
17 1JPA ANP 40.7285
18 4WNP 3RJ 42.1603
19 4WNP 3RJ 42.1603
20 5AX9 4KT 43.7086
21 5AX9 4KT 43.7086
22 2VN9 GVD 44.186
23 2VN9 GVD 44.186
24 3HMO STU 44.3709
25 3HMO STU 44.3709
26 2V7O DRN 44.702
27 3SLS ANP 45.3642
28 5JZJ AN2 46.1279
29 3DAK ANP 47.5862
30 2RIO ADP 47.6821
31 2RIO ADP 47.6821
32 3GGF GVD 47.8405
33 3GGF GVD 47.8405
34 3E8N ATP 48.3444
35 3E8N VRA 48.3444
36 4C2W ANP 49.8208
APoc FAQ
Feedback