Receptor
PDB id Resolution Class Description Source Keywords
5WNL 2.5 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF MURINE RECEPTOR-INTERACTING PROTEIN 4 ( D143N BOUND TO STAUROSPORINE MUS MUSCULUS KINASE INHIBITOR COMPLEX TRANSFERASE TRANSFERASE-TRANSFEINHIBITOR COMPLEX
Ref.: CRYSTAL STRUCTURE OF RIPK4 REVEALS DIMERIZATION-DEP KINASE ACTIVITY. STRUCTURE V. 26 767 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
STU A:401;
Valid;
none;
submit data
466.531 C28 H26 N4 O3 C[C@@...
CL A:402;
Invalid;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5WNL 2.5 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF MURINE RECEPTOR-INTERACTING PROTEIN 4 ( D143N BOUND TO STAUROSPORINE MUS MUSCULUS KINASE INHIBITOR COMPLEX TRANSFERASE TRANSFERASE-TRANSFEINHIBITOR COMPLEX
Ref.: CRYSTAL STRUCTURE OF RIPK4 REVEALS DIMERIZATION-DEP KINASE ACTIVITY. STRUCTURE V. 26 767 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 301 families.
1 5WNL - STU C28 H26 N4 O3 C[C@@]12[C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 221 families.
1 5WNL - STU C28 H26 N4 O3 C[C@@]12[C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 5WNL - STU C28 H26 N4 O3 C[C@@]12[C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: STU; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 STU 1 1
2 UCN 0.666667 0.892308
3 KSA 0.535714 0.882353
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5WNL; Ligand: STU; Similar sites found with APoc: 121
This union binding pocket(no: 1) in the query (biounit: 5wnl.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 4O1P ANP 4.38596
2 6G34 5ID 4.97076
3 2CSN CKI 5.38721
4 3M2W L8I 12.0401
5 5GZ9 ANP 15.7377
6 4UX9 ANP 16.0819
7 4UX9 ANP 16.0819
8 3TTI KBI 16.0819
9 1PHK ATP 17.7852
10 3DLS ADP 18.5075
11 6K3L 3NG 21.0059
12 3VHE 42Q 21.6374
13 5VC5 96M 23.8754
14 5JZJ AN2 23.9057
15 6QF4 ADP 25.9939
16 4JR7 GNP 26.0234
17 2WU6 DKI 27.193
18 6CMJ F6J 28.0374
19 2F2U M77 28.0702
20 5LI1 ANP 28.0702
21 2F2U M77 28.0702
22 5EFQ ADP 28.3626
23 4QTB 38Z 29.2398
24 1XJD STU 29.2398
25 5VCV 1N1 29.2605
26 4N70 2HX 30.4878
27 3RWP ABQ 30.5466
28 3RWP ABQ 30.5466
29 3LXN MI1 30.8176
30 3TKI S25 31.2694
31 2QCS ANP 31.8713
32 4WB6 ATP 31.8713
33 4IDT T28 32.4561
34 3E8N ATP 32.8446
35 3E8N VRA 32.8446
36 3E8N ATP 32.8446
37 3E8N VRA 32.8446
38 4OH4 ANP 33.033
39 4OH4 ANP 33.033
40 2VZ6 FEF 33.5463
41 1U5R ATP 33.6257
42 1U5R ATP 33.6257
43 1U5R ATP 33.6257
44 5AX9 4KT 33.7662
45 2BPM 529 33.9806
46 4CFU 2WC 33.9934
47 6GUE FB8 34.106
48 3MVH WFE 34.2105
49 4BCN T9N 34.3333
50 2XK9 XK9 34.472
51 1V0O INR 34.7222
52 1V0O INR 34.7222
53 6GU6 1QK 34.7682
54 5HQ0 LZ9 34.7682
55 2VN9 GVD 34.8837
56 2XMY CDK 34.8993
57 4OTH DRN 35.1906
58 4A4X JUP 35.4839
59 1UNH IXM 35.6164
60 1UNH IXM 35.6164
61 3O0G 3O0 35.6164
62 2Z7R STU 35.8255
63 2A19 ANP 36.2676
64 4CLI 5P8 36.3914
65 3SLS ANP 36.5132
66 6JQR C6F 36.9697
67 5U6C 7YS 37.1429
68 5U6C 7YS 37.1429
69 5LPB ADP 37.1622
70 4AG8 AXI 37.3418
71 4NW6 2NS 37.7709
72 4E93 GUI 38.0117
73 4EUU BX7 38.2445
74 4EUU BX7 38.2445
75 2H8H H8H 38.5965
76 5N87 N66 38.6581
77 3LXK MI1 38.8379
78 5UIU 8CG 39.0093
79 4EWH T77 39.6364
80 4EWH T77 39.6364
81 6CQF F97 39.7306
82 4UXL 5P8 39.7516
83 3GGF GVD 39.8671
84 3GGF GVD 39.8671
85 5HCY 60D 39.8792
86 2X2M X2M 40.1274
87 2X2M X2M 40.1274
88 3VRY B43 40.3509
89 4P5Z Q7M 40.3509
90 3RI1 3RH 40.8946
91 5WO4 B7V 41.0596
92 5WO4 B7V 41.0596
93 4WNP 3RJ 41.4634
94 4WNP 3RJ 41.4634
95 4WNP 3RJ 41.4634
96 4WNP 3RJ 41.4634
97 5USZ SKE 41.5225
98 1U59 STU 41.8118
99 5EYK 5U5 42.029
100 3BU5 ATP 42.4837
101 3EKK GS2 42.671
102 6F3G CJN 42.7119
103 5LXM ADP 42.7562
104 6C7Y ADP 43.7063
105 5EW9 5VC 43.9114
106 5DH3 5BS 44.4444
107 5DH3 5BS 44.4444
108 6NSP L0P 44.4444
109 3SRV S19 44.7653
110 3SRV S19 44.7653
111 1BYG STU 44.964
112 4TWP AXI 45.0185
113 4TWP AXI 45.0185
114 6QAV HVH 45.3571
115 6QAV HVH 45.3571
116 4F4P 0SB 45.4212
117 5NKB 8ZT 45.4248
118 2XVD AS6 46.0265
119 3G5D 1N1 48.2517
120 5FBN 5WF 49.0775
121 2HK5 1BM 49.2593
Pocket No.: 2; Query (leader) PDB : 5WNL; Ligand: STU; Similar sites found with APoc: 111
This union binding pocket(no: 2) in the query (biounit: 5wnl.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 4O1P ANP 4.38596
2 6G34 5ID 4.97076
3 6JKM ADP 4.98534
4 3M2W L8I 12.0401
5 5GZ9 ANP 15.7377
6 4UX9 ANP 16.0819
7 4UX9 ANP 16.0819
8 3TTI KBI 16.0819
9 3DLS ADP 18.5075
10 3DLS ADP 18.5075
11 3VHE 42Q 21.6374
12 5VC5 96M 23.8754
13 5JZJ AN2 23.9057
14 6QF4 ADP 25.9939
15 4JR7 GNP 26.0234
16 3V8S 0HD 27.4854
17 3V8S 0HD 27.4854
18 2F2U M77 28.0702
19 2F2U M77 28.0702
20 5EFQ ADP 28.3626
21 4QTB 38Z 29.2398
22 1XJD STU 29.2398
23 5VCV 1N1 29.2605
24 2ZV2 609 29.8658
25 4N70 2HX 30.4878
26 3RWP ABQ 30.5466
27 3RWP ABQ 30.5466
28 3LXN MI1 30.8176
29 2HY0 306 31.3665
30 4WB6 ATP 31.8713
31 4IDT T28 32.4561
32 4IDT T28 32.4561
33 3E8N VRA 32.8446
34 3E8N ATP 32.8446
35 4OH4 ANP 33.033
36 4OH4 ANP 33.033
37 2VZ6 FEF 33.5463
38 1U5R ATP 33.6257
39 1U5R ATP 33.6257
40 1U5R ATP 33.6257
41 5AX9 4KT 33.7662
42 4CFU 2WC 33.9934
43 6GUE FB8 34.106
44 4BCQ TJF 34.2193
45 4BCN T9N 34.3333
46 4BCN T9N 34.3333
47 2XK9 XK9 34.472
48 1V0O INR 34.7222
49 1V0O INR 34.7222
50 6GU6 1QK 34.7682
51 2VN9 GVD 34.8837
52 2VN9 GVD 34.8837
53 2XMY CDK 34.8993
54 1UNH IXM 35.6164
55 1UNH IXM 35.6164
56 3O0G 3O0 35.6164
57 3HMO STU 35.6725
58 3HMO STU 35.6725
59 2Z7R STU 35.8255
60 2A19 ANP 36.2676
61 4CLI 5P8 36.3914
62 3SLS ANP 36.5132
63 6JQR C6F 36.9697
64 5U6C 7YS 37.1429
65 5U6C 7YS 37.1429
66 5LPB ADP 37.1622
67 4NM5 ADP 37.5
68 4NW6 2NS 37.7709
69 2F57 23D 37.8549
70 2H8H H8H 38.5965
71 5N87 N66 38.6581
72 5HVJ ANP 38.7302
73 3LXK MI1 38.8379
74 4EWH T77 39.6364
75 4EWH T77 39.6364
76 4UXL 5P8 39.7516
77 3GGF GVD 39.8671
78 3GGF GVD 39.8671
79 3GGF GVD 39.8671
80 3GGF GVD 39.8671
81 3DAK ANP 40
82 2X2M X2M 40.1274
83 2X2M X2M 40.1274
84 3VRY B43 40.3509
85 4P5Z Q7M 40.3509
86 3RI1 3RH 40.8946
87 5WO4 B7V 41.0596
88 4WNP 3RJ 41.4634
89 4WNP 3RJ 41.4634
90 4WNP 3RJ 41.4634
91 4C2W ANP 41.5771
92 1U59 STU 41.8118
93 5G1X ADP 42.4561
94 3BU5 ATP 42.4837
95 6F3G CJN 42.7119
96 6F3G CJN 42.7119
97 5LXM ADP 42.7562
98 6C7Y ADP 43.7063
99 5EW9 5VC 43.9114
100 5DH3 5BS 44.4444
101 5DH3 5BS 44.4444
102 6NSP L0P 44.4444
103 3SRV S19 44.7653
104 3SRV S19 44.7653
105 1BYG STU 44.964
106 4TWP AXI 45.0185
107 4TWP AXI 45.0185
108 4F4P 0SB 45.4212
109 2XVD AS6 46.0265
110 5FBN 5WF 49.0775
111 2HK5 1BM 49.2593
Pocket No.: 3; Query (leader) PDB : 5WNL; Ligand: STU; 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: 5wnl.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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