Receptor
PDB id Resolution Class Description Source Keywords
1PHE 1.6 Å EC: 1.14.15.1 CRYSTAL STRUCTURES OF METYRAPONE-AND PHENYLIMIDAZOLE-INHIBIT COMPLEXES OF CYTOCHROME P450-CAM PSEUDOMONAS PUTIDA OXIDOREDUCTASE(OXYGENASE)
Ref.: CRYSTAL STRUCTURES OF METYRAPONE- AND PHENYLIMIDAZOLE-INHIBITED COMPLEXES OF CYTOCHROME P BIOCHEMISTRY V. 26 8165 1987
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HEM A:417;
 Part of Protein;
 none;
 submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
PIY A:422;
 Valid;
 none;
 submit data
144.173 C9 H8 N2 c1ccc...
SO4 A:801;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1RE9 1.45 Å EC: 1.14.15.1 CRYSTAL STRUCTURE OF CYTOCHROME P450-CAM WITH A FLUORESCENT PROBE D-8-AD (ADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-N APHTHALENE-1-SULFONYLAMINO-OCTYL-AMIDE) PSEUDOMONAS PUTIDA MONOOXYGENASE CONFORMATIONAL STATES SUBSTRATE-LINKED SENSITIZERS SUBSTRATE-BINDING DANSYL ADAMANTANE ADAMANTANE-1-CARBOXYLIC ACID 4-(5-DIMETHYLAMINO- NAPHTHALENE-1-SULFONYLAMINO)-OCTYL]-AMIDE CHANNEL OXIDOREDUCTASE
Ref.: CONFORMATIONAL STATES OF CYTOCHROME P450CAM REVEALED BY TRAPPING OF SYNTHETIC MOLECULAR WIRES. J.MOL.BIOL. V. 344 455 2004
Members (70)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4L4D - CAM C10 H16 O CC1([C@@H]....
2 2QBL - CAM C10 H16 O CC1([C@@H]....
3 1RE9 Kd ~ 0.02 uM DSO C31 H45 N3 O3 S CN(C)c1ccc....
4 3FWG - CAM C10 H16 O CC1([C@@H]....
5 5IK1 - CAM C10 H16 O CC1([C@@H]....
6 2QBO - CAM C10 H16 O CC1([C@@H]....
7 3FWJ - CAM C10 H16 O CC1([C@@H]....
8 2CP4 - CAM C10 H16 O CC1([C@@H]....
9 1DZ6 - CAM C10 H16 O CC1([C@@H]....
10 4L4G - CAM C10 H16 O CC1([C@@H]....
11 2Z97 Kd ~ 3 mM CAM C10 H16 O CC1([C@@H]....
12 1DZ9 - CAM C10 H16 O CC1([C@@H]....
13 1NOO - CAH C10 H16 O2 CC1([C@H]2....
14 1IWI Kd = 22 uM CAM C10 H16 O CC1([C@@H]....
15 3FWI - CAM C10 H16 O CC1([C@@H]....
16 4CP4 - CAM C10 H16 O CC1([C@@H]....
17 2A1O - CAM C10 H16 O CC1([C@@H]....
18 1K2O - RFA C54 H75 F8 N7 Ru CC1=CC2C3C....
19 4L4F - CAM C10 H16 O CC1([C@@H]....
20 1O76 - CAM C10 H16 O CC1([C@@H]....
21 4L4A - CAM C10 H16 O CC1([C@@H]....
22 1LWL Kd ~ 0.02 uM DSO C31 H45 N3 O3 S CN(C)c1ccc....
23 2CPP - CAM C10 H16 O CC1([C@@H]....
24 6CPP - CAE C10 H18 CC1(C2CCC1....
25 5WK9 Kd = 32.2 uM CAM C10 H16 O CC1([C@@H]....
26 1YRC - CAM C10 H16 O CC1([C@@H]....
27 2ZAX - CAM C10 H16 O CC1([C@@H]....
28 1T87 - CAM C10 H16 O CC1([C@@H]....
29 2ZWU - CAM C10 H16 O CC1([C@@H]....
30 2H7R Kd = 55.9 uM 1MZ C4 H7 N2 Cn1cc[nH+]....
31 2A1M - CAM C10 H16 O CC1([C@@H]....
32 8CPP - TCM C10 H16 S CC1([C@@H]....
33 4G3R - CAM C10 H16 O CC1([C@@H]....
34 1DZ8 - CAM C10 H16 O CC1([C@@H]....
35 3CPP - CAM C10 H16 O CC1([C@@H]....
36 4L4C - CAM C10 H16 O CC1([C@@H]....
37 3CP4 - ADM C10 H16 C1C2CC3CC1....
38 2FEU - CAM C10 H16 O CC1([C@@H]....
39 2GQX Kd = 1.71 uM 5CL C6 H Cl5 c1c(c(c(c(....
40 2ZAW - CAM C10 H16 O CC1([C@@H]....
41 1AKD - CAM C10 H16 O CC1([C@@H]....
42 5CPP - ADO C10 H14 O C1C2CC3CC1....
43 1T88 - CAM C10 H16 O CC1([C@@H]....
44 3FWF - CAM C10 H16 O CC1([C@@H]....
45 4L49 - CAM C10 H16 O CC1([C@@H]....
46 2QBN - CAM C10 H16 O CC1([C@@H]....
47 1GEB - CAM C10 H16 O CC1([C@@H]....
48 5CP4 - CAM C10 H16 O CC1([C@@H]....
49 1T85 - CAM C10 H16 O CC1([C@@H]....
50 4L4B - CAM C10 H16 O CC1([C@@H]....
51 1PHE - PIY C9 H8 N2 c1ccc(cc1)....
52 3L63 - CAM C10 H16 O CC1([C@@H]....
53 7CPP - NCM C7 H10 O C1C[C@@H]2....
54 1J51 - TCZ C6 H3 Cl3 c1c(cc(cc1....
55 1T86 - CAM C10 H16 O CC1([C@@H]....
56 1YRD - CAM C10 H16 O CC1([C@@H]....
57 2ZWT - CAM C10 H16 O CC1([C@@H]....
58 1MPW Kd = 1.1 uM TMH C10 H16 CC1=CC[C@@....
59 1DZ4 - CAM C10 H16 O CC1([C@@H]....
60 5WK7 - CAH C10 H16 O2 CC1([C@H]2....
61 2QBM - CAM C10 H16 O CC1([C@@H]....
62 4EK1 - CAM C10 H16 O CC1([C@@H]....
63 1IWJ Kd = 79 uM CAM C10 H16 O CC1([C@@H]....
64 6CP4 - CAM C10 H16 O CC1([C@@H]....
65 4L4E - CAM C10 H16 O CC1([C@@H]....
66 2A1N - CAM C10 H16 O CC1([C@@H]....
67 4CPP - ADM C10 H16 C1C2CC3CC1....
68 6WE6 - CAM C10 H16 O CC1([C@@H]....
69 1UYU - CAM C10 H16 O CC1([C@@H]....
70 6WFL - CAH C10 H16 O2 CC1([C@H]2....
70% Homology Family (71)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4L4D - CAM C10 H16 O CC1([C@@H]....
2 2QBL - CAM C10 H16 O CC1([C@@H]....
3 1RE9 Kd ~ 0.02 uM DSO C31 H45 N3 O3 S CN(C)c1ccc....
4 3FWG - CAM C10 H16 O CC1([C@@H]....
5 5IK1 - CAM C10 H16 O CC1([C@@H]....
6 2QBO - CAM C10 H16 O CC1([C@@H]....
7 3FWJ - CAM C10 H16 O CC1([C@@H]....
8 2CP4 - CAM C10 H16 O CC1([C@@H]....
9 1DZ6 - CAM C10 H16 O CC1([C@@H]....
10 4L4G - CAM C10 H16 O CC1([C@@H]....
11 2Z97 Kd ~ 3 mM CAM C10 H16 O CC1([C@@H]....
12 1DZ9 - CAM C10 H16 O CC1([C@@H]....
13 1NOO - CAH C10 H16 O2 CC1([C@H]2....
14 1IWI Kd = 22 uM CAM C10 H16 O CC1([C@@H]....
15 3FWI - CAM C10 H16 O CC1([C@@H]....
16 4CP4 - CAM C10 H16 O CC1([C@@H]....
17 2A1O - CAM C10 H16 O CC1([C@@H]....
18 1K2O - RFA C54 H75 F8 N7 Ru CC1=CC2C3C....
19 4L4F - CAM C10 H16 O CC1([C@@H]....
20 1O76 - CAM C10 H16 O CC1([C@@H]....
21 4L4A - CAM C10 H16 O CC1([C@@H]....
22 1LWL Kd ~ 0.02 uM DSO C31 H45 N3 O3 S CN(C)c1ccc....
23 2CPP - CAM C10 H16 O CC1([C@@H]....
24 6CPP - CAE C10 H18 CC1(C2CCC1....
25 5WK9 Kd = 32.2 uM CAM C10 H16 O CC1([C@@H]....
26 1YRC - CAM C10 H16 O CC1([C@@H]....
27 2ZAX - CAM C10 H16 O CC1([C@@H]....
28 1T87 - CAM C10 H16 O CC1([C@@H]....
29 2ZWU - CAM C10 H16 O CC1([C@@H]....
30 2H7R Kd = 55.9 uM 1MZ C4 H7 N2 Cn1cc[nH+]....
31 2A1M - CAM C10 H16 O CC1([C@@H]....
32 8CPP - TCM C10 H16 S CC1([C@@H]....
33 4G3R - CAM C10 H16 O CC1([C@@H]....
34 1DZ8 - CAM C10 H16 O CC1([C@@H]....
35 3CPP - CAM C10 H16 O CC1([C@@H]....
36 4L4C - CAM C10 H16 O CC1([C@@H]....
37 3CP4 - ADM C10 H16 C1C2CC3CC1....
38 2FEU - CAM C10 H16 O CC1([C@@H]....
39 2GQX Kd = 1.71 uM 5CL C6 H Cl5 c1c(c(c(c(....
40 2ZAW - CAM C10 H16 O CC1([C@@H]....
41 1AKD - CAM C10 H16 O CC1([C@@H]....
42 5CPP - ADO C10 H14 O C1C2CC3CC1....
43 1T88 - CAM C10 H16 O CC1([C@@H]....
44 3FWF - CAM C10 H16 O CC1([C@@H]....
45 4L49 - CAM C10 H16 O CC1([C@@H]....
46 2QBN - CAM C10 H16 O CC1([C@@H]....
47 1GEB - CAM C10 H16 O CC1([C@@H]....
48 5CP4 - CAM C10 H16 O CC1([C@@H]....
49 1T85 - CAM C10 H16 O CC1([C@@H]....
50 4L4B - CAM C10 H16 O CC1([C@@H]....
51 1PHE - PIY C9 H8 N2 c1ccc(cc1)....
52 3L63 - CAM C10 H16 O CC1([C@@H]....
53 7CPP - NCM C7 H10 O C1C[C@@H]2....
54 1J51 - TCZ C6 H3 Cl3 c1c(cc(cc1....
55 1T86 - CAM C10 H16 O CC1([C@@H]....
56 1YRD - CAM C10 H16 O CC1([C@@H]....
57 2ZWT - CAM C10 H16 O CC1([C@@H]....
58 1MPW Kd = 1.1 uM TMH C10 H16 CC1=CC[C@@....
59 1DZ4 - CAM C10 H16 O CC1([C@@H]....
60 5WK7 - CAH C10 H16 O2 CC1([C@H]2....
61 2QBM - CAM C10 H16 O CC1([C@@H]....
62 4EK1 - CAM C10 H16 O CC1([C@@H]....
63 1IWJ Kd = 79 uM CAM C10 H16 O CC1([C@@H]....
64 6CP4 - CAM C10 H16 O CC1([C@@H]....
65 4L4E - CAM C10 H16 O CC1([C@@H]....
66 2A1N - CAM C10 H16 O CC1([C@@H]....
67 4CPP - ADM C10 H16 C1C2CC3CC1....
68 6WE6 - CAM C10 H16 O CC1([C@@H]....
69 1UYU - CAM C10 H16 O CC1([C@@H]....
70 6WFL - CAH C10 H16 O2 CC1([C@H]2....
71 6WPL Kd = 0.702 uM CAH C10 H16 O2 CC1([C@H]2....
50% Homology Family (79)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4L4D - CAM C10 H16 O CC1([C@@H]....
2 2QBL - CAM C10 H16 O CC1([C@@H]....
3 1RE9 Kd ~ 0.02 uM DSO C31 H45 N3 O3 S CN(C)c1ccc....
4 3FWG - CAM C10 H16 O CC1([C@@H]....
5 5IK1 - CAM C10 H16 O CC1([C@@H]....
6 2QBO - CAM C10 H16 O CC1([C@@H]....
7 3FWJ - CAM C10 H16 O CC1([C@@H]....
8 2CP4 - CAM C10 H16 O CC1([C@@H]....
9 1DZ6 - CAM C10 H16 O CC1([C@@H]....
10 4L4G - CAM C10 H16 O CC1([C@@H]....
11 2Z97 Kd ~ 3 mM CAM C10 H16 O CC1([C@@H]....
12 1DZ9 - CAM C10 H16 O CC1([C@@H]....
13 1NOO - CAH C10 H16 O2 CC1([C@H]2....
14 1IWI Kd = 22 uM CAM C10 H16 O CC1([C@@H]....
15 3FWI - CAM C10 H16 O CC1([C@@H]....
16 4CP4 - CAM C10 H16 O CC1([C@@H]....
17 2A1O - CAM C10 H16 O CC1([C@@H]....
18 1K2O - RFA C54 H75 F8 N7 Ru CC1=CC2C3C....
19 4L4F - CAM C10 H16 O CC1([C@@H]....
20 1O76 - CAM C10 H16 O CC1([C@@H]....
21 4L4A - CAM C10 H16 O CC1([C@@H]....
22 1LWL Kd ~ 0.02 uM DSO C31 H45 N3 O3 S CN(C)c1ccc....
23 2CPP - CAM C10 H16 O CC1([C@@H]....
24 6CPP - CAE C10 H18 CC1(C2CCC1....
25 5WK9 Kd = 32.2 uM CAM C10 H16 O CC1([C@@H]....
26 1YRC - CAM C10 H16 O CC1([C@@H]....
27 2ZAX - CAM C10 H16 O CC1([C@@H]....
28 1T87 - CAM C10 H16 O CC1([C@@H]....
29 2ZWU - CAM C10 H16 O CC1([C@@H]....
30 2H7R Kd = 55.9 uM 1MZ C4 H7 N2 Cn1cc[nH+]....
31 2A1M - CAM C10 H16 O CC1([C@@H]....
32 8CPP - TCM C10 H16 S CC1([C@@H]....
33 4G3R - CAM C10 H16 O CC1([C@@H]....
34 1DZ8 - CAM C10 H16 O CC1([C@@H]....
35 3CPP - CAM C10 H16 O CC1([C@@H]....
36 4L4C - CAM C10 H16 O CC1([C@@H]....
37 3CP4 - ADM C10 H16 C1C2CC3CC1....
38 2FEU - CAM C10 H16 O CC1([C@@H]....
39 2GQX Kd = 1.71 uM 5CL C6 H Cl5 c1c(c(c(c(....
40 2ZAW - CAM C10 H16 O CC1([C@@H]....
41 1AKD - CAM C10 H16 O CC1([C@@H]....
42 5CPP - ADO C10 H14 O C1C2CC3CC1....
43 1T88 - CAM C10 H16 O CC1([C@@H]....
44 3FWF - CAM C10 H16 O CC1([C@@H]....
45 4L49 - CAM C10 H16 O CC1([C@@H]....
46 2QBN - CAM C10 H16 O CC1([C@@H]....
47 1GEB - CAM C10 H16 O CC1([C@@H]....
48 5CP4 - CAM C10 H16 O CC1([C@@H]....
49 1T85 - CAM C10 H16 O CC1([C@@H]....
50 4L4B - CAM C10 H16 O CC1([C@@H]....
51 1PHE - PIY C9 H8 N2 c1ccc(cc1)....
52 3L63 - CAM C10 H16 O CC1([C@@H]....
53 7CPP - NCM C7 H10 O C1C[C@@H]2....
54 1J51 - TCZ C6 H3 Cl3 c1c(cc(cc1....
55 1T86 - CAM C10 H16 O CC1([C@@H]....
56 1YRD - CAM C10 H16 O CC1([C@@H]....
57 2ZWT - CAM C10 H16 O CC1([C@@H]....
58 1MPW Kd = 1.1 uM TMH C10 H16 CC1=CC[C@@....
59 1DZ4 - CAM C10 H16 O CC1([C@@H]....
60 5WK7 - CAH C10 H16 O2 CC1([C@H]2....
61 2QBM - CAM C10 H16 O CC1([C@@H]....
62 4EK1 - CAM C10 H16 O CC1([C@@H]....
63 1IWJ Kd = 79 uM CAM C10 H16 O CC1([C@@H]....
64 6CP4 - CAM C10 H16 O CC1([C@@H]....
65 4L4E - CAM C10 H16 O CC1([C@@H]....
66 2A1N - CAM C10 H16 O CC1([C@@H]....
67 4CPP - ADM C10 H16 C1C2CC3CC1....
68 6WE6 - CAM C10 H16 O CC1([C@@H]....
69 1UYU - CAM C10 H16 O CC1([C@@H]....
70 6WFL - CAH C10 H16 O2 CC1([C@H]2....
71 3NV6 Kd = 3.1 uM CAM C10 H16 O CC1([C@@H]....
72 4C9O - CAM C10 H16 O CC1([C@@H]....
73 6WGW - CAH C10 H16 O2 CC1([C@H]2....
74 4C9N - CAM C10 H16 O CC1([C@@H]....
75 3LXI Kd = 9.1 uM CAM C10 H16 O CC1([C@@H]....
76 4C9P - CAM C10 H16 O CC1([C@@H]....
77 4C9K - CAM C10 H16 O CC1([C@@H]....
78 4C9L - CAM C10 H16 O CC1([C@@H]....
79 6WPL Kd = 0.702 uM CAH C10 H16 O2 CC1([C@H]2....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PIY; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 PIY 1 1
2 7VP 0.425 0.952381
Similar Ligands (3D)
Ligand no: 1; Ligand: PIY; Similar ligands found: 879
No: Ligand Similarity coefficient
1 PIM 1.0000
2 M3H 0.9841
3 MSR 0.9807
4 0BP 0.9803
5 K34 0.9786
6 TZF 0.9783
7 BNL 0.9780
8 L5V 0.9764
9 J9Q 0.9759
10 SNU 0.9755
11 CPZ 0.9746
12 HQJ 0.9745
13 C1M 0.9741
14 ISZ 0.9739
15 GVG 0.9733
16 6TZ 0.9725
17 IWT 0.9721
18 PHU 0.9702
19 R20 0.9691
20 J9N 0.9686
21 HX4 0.9679
22 M4T 0.9677
23 BHO 0.9670
24 52C 0.9670
25 CFI 0.9667
26 97T 0.9663
27 HIS 0.9659
28 A5E 0.9654
29 36Y 0.9650
30 ESP 0.9647
31 AOT 0.9643
32 N2Z 0.9638
33 BZ2 0.9634
34 JF6 0.9634
35 MPV 0.9630
36 173 0.9627
37 4P5 0.9627
38 XDK 0.9616
39 NCT 0.9603
40 ICB 0.9601
41 4WL 0.9599
42 M45 0.9596
43 4ZA 0.9581
44 TCA 0.9569
45 DE5 0.9567
46 8OZ 0.9564
47 4LW 0.9559
48 HDH 0.9554
49 PO6 0.9550
50 HHI 0.9549
51 F4E 0.9533
52 FBM 0.9531
53 PJW 0.9522
54 ESX 0.9517
55 A29 0.9516
56 PPY 0.9515
57 URO 0.9507
58 TYL 0.9506
59 PHB 0.9494
60 F9P 0.9494
61 1XA 0.9494
62 2ZM 0.9493
63 1IT 0.9493
64 9CA 0.9487
65 I1E 0.9487
66 NPO 0.9483
67 XIZ 0.9480
68 4V2 0.9476
69 9FL 0.9471
70 NIZ 0.9470
71 PAB 0.9470
72 L22 0.9465
73 AKG 0.9464
74 CH9 0.9463
75 N3W 0.9458
76 0HN 0.9449
77 OK7 0.9446
78 JRB 0.9445
79 2HU 0.9444
80 OGA 0.9444
81 HCI 0.9440
82 PAC 0.9439
83 3A9 0.9436
84 SE2 0.9431
85 0HO 0.9431
86 G3E 0.9430
87 5NI 0.9425
88 3PF 0.9421
89 TPA 0.9421
90 PBZ 0.9417
91 D48 0.9415
92 ABI 0.9415
93 6NT 0.9413
94 2HC 0.9413
95 2BG 0.9413
96 J9T 0.9411
97 TT4 0.9411
98 J5I 0.9411
99 HBD 0.9408
100 6NI 0.9407
101 GJZ 0.9405
102 1WC 0.9402
103 INO 0.9402
104 1F1 0.9402
105 JAW 0.9400
106 KTJ 0.9398
107 HNL 0.9398
108 1A7 0.9397
109 HNH 0.9394
110 A9P 0.9393
111 XIY 0.9391
112 36E 0.9384
113 6RQ 0.9379
114 6FZ 0.9374
115 DHB 0.9373
116 AN3 0.9372
117 NNO 0.9369
118 5QY 0.9363
119 93K 0.9359
120 4PN 0.9358
121 1M2 0.9353
122 PZI 0.9347
123 2F6 0.9347
124 TIU 0.9346
125 1Y6 0.9345
126 RUY 0.9335
127 FBB 0.9323
128 BZ3 0.9322
129 1Z6 0.9320
130 PHE 0.9317
131 3NY 0.9311
132 COU 0.9310
133 ESI 0.9308
134 4JQ 0.9307
135 03V 0.9304
136 P9P 0.9303
137 SHA 0.9302
138 1L5 0.9302
139 FHB 0.9297
140 R2P 0.9297
141 3ID 0.9295
142 L99 0.9292
143 3OC 0.9292
144 HC4 0.9291
145 OCH 0.9291
146 JDN 0.9289
147 AX7 0.9289
148 5OB 0.9286
149 BEA 0.9285
150 QMP 0.9284
151 E1T 0.9283
152 XX2 0.9283
153 4A3 0.9283
154 4NC 0.9283
155 MQN 0.9281
156 46P 0.9281
157 0JD 0.9279
158 0F9 0.9279
159 2HO 0.9279
160 K2T 0.9279
161 MYJ 0.9274
162 CXF 0.9274
163 GUA 0.9270
164 E5X 0.9269
165 JG8 0.9268
166 ES5 0.9267
167 HPS 0.9265
168 4MA 0.9264
169 GLN 0.9264
170 0NX 0.9263
171 DMD 0.9262
172 92G 0.9261
173 7MU 0.9261
174 D3G 0.9260
175 826 0.9259
176 ET2 0.9259
177 2HG 0.9259
178 PNZ 0.9259
179 2AQ 0.9258
180 069 0.9256
181 K7M 0.9256
182 BEN 0.9254
183 15N 0.9253
184 QY9 0.9253
185 PH3 0.9252
186 GVY 0.9250
187 HHH 0.9249
188 BPY 0.9248
189 JLZ 0.9245
190 P72 0.9244
191 4FS 0.9244
192 BEZ 0.9244
193 717 0.9242
194 92K 0.9241
195 9TW 0.9240
196 AC6 0.9239
197 OTR 0.9238
198 BNF 0.9237
199 3HM 0.9232
200 5LA 0.9231
201 ABV 0.9231
202 MUC 0.9224
203 ONR 0.9221
204 PBC 0.9221
205 NCA 0.9219
206 SW7 0.9218
207 CHB 0.9216
208 UNU 0.9215
209 X48 0.9213
210 GZ2 0.9212
211 BAM 0.9212
212 X0V 0.9210
213 M6W 0.9207
214 HNK 0.9207
215 Z82 0.9203
216 NIO 0.9203
217 YZM 0.9203
218 QSB 0.9202
219 4YO 0.9201
220 CLW 0.9201
221 OAA 0.9200
222 0W1 0.9199
223 0TU 0.9198
224 LNR 0.9196
225 IHB 0.9195
226 H42 0.9194
227 ES2 0.9189
228 5XC 0.9188
229 PBA 0.9184
230 FK8 0.9182
231 NFA 0.9182
232 RSO 0.9182
233 S2G 0.9181
234 5VL 0.9180
235 FCR 0.9180
236 4LV 0.9179
237 6PC 0.9179
238 PRA 0.9175
239 94W 0.9173
240 4FH 0.9173
241 GO2 0.9172
242 15E 0.9169
243 3LR 0.9167
244 PEA 0.9167
245 4BL 0.9166
246 DGN 0.9166
247 JB5 0.9165
248 ANN 0.9165
249 GAB 0.9163
250 FUM 0.9162
251 J6W 0.9161
252 AMS 0.9160
253 GLU 0.9159
254 OKG 0.9159
255 54D 0.9159
256 4NB 0.9158
257 4BZ 0.9157
258 4BY 0.9156
259 264 0.9155
260 EN1 0.9154
261 174 0.9154
262 HFA 0.9151
263 2MI 0.9151
264 UNJ 0.9150
265 152 0.9150
266 KTW 0.9149
267 F4K 0.9146
268 NBZ 0.9146
269 DHI 0.9145
270 CWJ 0.9145
271 EA1 0.9144
272 JB8 0.9143
273 3ZB 0.9139
274 HSO 0.9139
275 TSU 0.9138
276 FAN 0.9138
277 EXD 0.9135
278 S2P 0.9135
279 1P8 0.9134
280 MLT 0.9133
281 XM0 0.9131
282 8ZE 0.9131
283 ZYR 0.9130
284 3QM 0.9130
285 IFP 0.9130
286 36R 0.9127
287 N2I 0.9126
288 B40 0.9126
289 4FA 0.9125
290 HA5 0.9124
291 2BX 0.9124
292 CK2 0.9123
293 Z5P 0.9123
294 GWM 0.9121
295 795 0.9121
296 VGD 0.9121
297 X0U 0.9120
298 LQ2 0.9120
299 PKU 0.9120
300 PZA 0.9119
301 270 0.9117
302 AL0 0.9117
303 BP7 0.9115
304 SYV 0.9114
305 B85 0.9114
306 P7Y 0.9114
307 FEH 0.9111
308 P80 0.9103
309 ASP 0.9100
310 URS 0.9100
311 SAN 0.9097
312 DYT 0.9094
313 DGL 0.9094
314 5QX 0.9093
315 FHC 0.9092
316 KTA 0.9091
317 ALE 0.9090
318 2AL 0.9089
319 XRG 0.9088
320 8WO 0.9087
321 KJU 0.9087
322 DHK 0.9087
323 DHY 0.9084
324 DPN 0.9084
325 258 0.9081
326 TGX 0.9080
327 AX3 0.9080
328 C82 0.9077
329 TIH 0.9076
330 FBJ 0.9072
331 2QC 0.9070
332 5GU 0.9068
333 EOU 0.9066
334 YRL 0.9065
335 LT2 0.9065
336 4J8 0.9064
337 EVF 0.9064
338 3HB 0.9062
339 0VT 0.9061
340 FBS 0.9059
341 2FT 0.9059
342 NYL 0.9058
343 SMN 0.9057
344 363 0.9057
345 12T 0.9056
346 BCU 0.9055
347 GRO 0.9055
348 BPN 0.9053
349 2HQ 0.9052
350 3NT 0.9052
351 4JT 0.9051
352 DHR 0.9051
353 268 0.9050
354 E3X 0.9048
355 4XF 0.9047
356 GGL 0.9047
357 JA8 0.9046
358 9FE 0.9046
359 TZL 0.9045
360 M6H 0.9043
361 SKM 0.9043
362 DIN 0.9042
363 45L 0.9042
364 N8Y 0.9041
365 BZE 0.9040
366 QWN 0.9040
367 6QF 0.9039
368 RAT 0.9038
369 RMN 0.9036
370 L14 0.9035
371 TYR 0.9033
372 AY4 0.9030
373 2FY 0.9030
374 BNS 0.9029
375 FQI 0.9028
376 23J 0.9028
377 CK1 0.9027
378 MNN 0.9026
379 KDV 0.9026
380 92P 0.9026
381 1HN 0.9026
382 6KT 0.9026
383 PEY 0.9025
384 DOB 0.9025
385 3PG 0.9024
386 9ZE 0.9024
387 4RU 0.9024
388 5WV 0.9023
389 E7S 0.9022
390 LMR 0.9022
391 428 0.9022
392 4SX 0.9021
393 FB2 0.9020
394 EKZ 0.9020
395 5VM 0.9020
396 GLY GLY 0.9020
397 BZJ 0.9020
398 MS9 0.9019
399 P81 0.9017
400 NTN 0.9017
401 GJP 0.9016
402 MAH 0.9015
403 86J 0.9014
404 OVV 0.9014
405 I3A 0.9014
406 ICO 0.9013
407 APG 0.9012
408 VGL 0.9011
409 GDE 0.9011
410 F9Y 0.9009
411 XCG 0.9008
412 S8V 0.9008
413 4HP 0.9006
414 BHA 0.9006
415 SIN 0.9006
416 P92 0.9006
417 KKN 0.9005
418 GF4 0.9002
419 FA1 0.9001
420 KOJ 0.8996
421 GOJ 0.8996
422 AC0 0.8996
423 0FK 0.8995
424 Q02 0.8995
425 9RW 0.8995
426 MXN 0.8995
427 JAE 0.8993
428 SHI 0.8992
429 OEG 0.8991
430 DYA 0.8990
431 8HC 0.8990
432 2LY 0.8989
433 ENO 0.8989
434 VNL 0.8987
435 ANC 0.8987
436 4NM 0.8987
437 5RN 0.8986
438 A7W 0.8985
439 TTL 0.8985
440 KDG 0.8984
441 12Q 0.8983
442 KJH 0.8983
443 3AB 0.8983
444 TZM 0.8983
445 ISN 0.8980
446 1DJ 0.8980
447 ZBT 0.8979
448 ES7 0.8979
449 DZA 0.8979
450 TMG 0.8978
451 4HB 0.8977
452 0OC 0.8976
453 ONL 0.8975
454 49F 0.8974
455 QXW 0.8973
456 53C 0.8973
457 GZL 0.8973
458 AZ9 0.8972
459 PMF 0.8971
460 SPA 0.8971
461 MAJ 0.8969
462 PMB 0.8968
463 2IT 0.8967
464 2O6 0.8966
465 2K4 0.8965
466 F60 0.8965
467 9R5 0.8964
468 0P6 0.8964
469 X11 0.8964
470 8GL 0.8963
471 AAS 0.8962
472 HQT 0.8960
473 ODO 0.8960
474 5CU 0.8958
475 HIC 0.8958
476 C2Y 0.8956
477 IV2 0.8956
478 M2K 0.8956
479 FGZ 0.8955
480 344 0.8954
481 FBW 0.8953
482 9RH 0.8952
483 AMH 0.8951
484 SD4 0.8951
485 YCP 0.8949
486 F31 0.8945
487 4CS 0.8943
488 2FQ 0.8942
489 8WT 0.8942
490 DNF 0.8941
491 39O 0.8941
492 LDP 0.8941
493 CTL 0.8941
494 7N0 0.8941
495 3HP 0.8940
496 14O 0.8940
497 5H1 0.8939
498 L03 0.8938
499 WCE 0.8937
500 MPK 0.8937
501 PEP 0.8936
502 AEF 0.8935
503 HBA 0.8934
504 6FB 0.8932
505 HJH 0.8931
506 NDH 0.8930
507 5RO 0.8930
508 7WG 0.8930
509 CCU 0.8928
510 5HN 0.8928
511 NPY 0.8928
512 BZX 0.8927
513 7W1 0.8926
514 7O4 0.8926
515 TH7 0.8926
516 DHS 0.8925
517 KMH 0.8925
518 BE7 0.8925
519 9ON 0.8925
520 FDR 0.8924
521 3YP 0.8924
522 8CM 0.8923
523 6AI 0.8923
524 5MI 0.8922
525 CXH 0.8922
526 0N7 0.8921
527 3R4 0.8921
528 8NX 0.8921
529 COI 0.8920
530 7OD 0.8919
531 MR1 0.8918
532 OVM 0.8917
533 8XL 0.8915
534 51R 0.8915
535 14J 0.8914
536 3HG 0.8914
537 SAF 0.8913
538 KUF 0.8913
539 ORO 0.8913
540 MRW 0.8911
541 1SA 0.8910
542 SS1 0.8908
543 FA0 0.8908
544 M3E 0.8908
545 HQD 0.8908
546 3MB 0.8907
547 FBF 0.8907
548 AJV 0.8905
549 5WZ 0.8905
550 M4E 0.8905
551 SNO 0.8904
552 QSH 0.8903
553 VXX 0.8903
554 HX2 0.8903
555 56D 0.8902
556 261 0.8901
557 7BC 0.8901
558 AMQ 0.8900
559 HL5 0.8899
560 SAL 0.8899
561 K97 0.8898
562 I3E 0.8898
563 S7J 0.8897
564 UFV 0.8895
565 M1Z 0.8893
566 5MB 0.8892
567 CWS 0.8891
568 FP1 0.8891
569 SQ7 0.8889
570 HL4 0.8888
571 HY1 0.8885
572 PD2 0.8884
573 2PG 0.8880
574 RNO 0.8879
575 BVA 0.8878
576 SLS 0.8877
577 HSM 0.8876
578 61M 0.8876
579 AJY 0.8876
580 QUZ 0.8875
581 SRT 0.8873
582 8GC 0.8873
583 URC 0.8872
584 13P 0.8872
585 N9J 0.8871
586 Q88 0.8871
587 H4E 0.8870
588 1VK 0.8870
589 I4B 0.8867
590 B1J 0.8867
591 XQ0 0.8867
592 CXP 0.8867
593 1BN 0.8866
594 5NU 0.8865
595 OMD 0.8865
596 HG3 0.8862
597 4AA 0.8860
598 IAC 0.8859
599 4M0 0.8858
600 LYS 0.8858
601 3SL 0.8858
602 E35 0.8856
603 CWM 0.8856
604 DS0 0.8856
605 SME 0.8855
606 7W4 0.8855
607 RJY 0.8853
608 OTW 0.8853
609 DBH 0.8853
610 5XB 0.8852
611 FF2 0.8851
612 FUD 0.8851
613 GPF 0.8850
614 TYE 0.8850
615 HF2 0.8845
616 11S 0.8845
617 3HA 0.8845
618 R9Y 0.8845
619 NMJ 0.8844
620 GPJ 0.8844
621 OQC 0.8844
622 AA 0.8844
623 E7Z 0.8843
624 492 0.8843
625 80G 0.8843
626 BRH 0.8841
627 SYM 0.8841
628 DIR 0.8840
629 XBT 0.8840
630 BRT 0.8839
631 F69 0.8837
632 SYC 0.8836
633 SN4 0.8835
634 S0E 0.8835
635 4Z4 0.8834
636 3BZ 0.8833
637 463 0.8831
638 DQU 0.8828
639 C53 0.8828
640 GZ3 0.8827
641 HMH 0.8827
642 ASC 0.8826
643 259 0.8826
644 PEL 0.8826
645 4VP 0.8826
646 ES0 0.8825
647 ALA ALA 0.8822
648 8NB 0.8820
649 RA7 0.8820
650 PRZ 0.8818
651 3QV 0.8817
652 LR5 0.8817
653 DHC 0.8814
654 SHF 0.8814
655 ANF 0.8813
656 3U4 0.8813
657 M4S 0.8810
658 2D0 0.8810
659 AHN 0.8808
660 SEP 0.8808
661 4MU 0.8807
662 3AE 0.8804
663 LEU 0.8804
664 5TY 0.8802
665 G3P 0.8802
666 1DV 0.8801
667 M58 0.8800
668 67N 0.8799
669 SQ4 0.8799
670 SWX 0.8795
671 QSC 0.8794
672 AEG 0.8792
673 F05 0.8790
674 BE2 0.8790
675 FK1 0.8788
676 27B 0.8788
677 ES9 0.8787
678 2CK 0.8782
679 AVI 0.8782
680 8U3 0.8780
681 CCE 0.8777
682 BTY 0.8776
683 4JC 0.8776
684 68A 0.8774
685 H4N 0.8773
686 4I8 0.8772
687 3Z8 0.8770
688 PGH 0.8769
689 UN1 0.8769
690 DAL DAL 0.8767
691 MUA 0.8766
692 SKA 0.8766
693 A09 0.8765
694 MVN 0.8764
695 QUS 0.8764
696 K5W 0.8763
697 XDE 0.8762
698 3FH 0.8762
699 R8V 0.8762
700 CN0 0.8762
701 PGA 0.8759
702 B62 0.8757
703 LTL 0.8757
704 4XS 0.8756
705 FZM 0.8755
706 ES6 0.8754
707 XHP 0.8752
708 49O 0.8751
709 PFF 0.8751
710 1P7 0.8750
711 XAZ 0.8749
712 NM2 0.8747
713 M5H 0.8747
714 DTY 0.8747
715 HGA 0.8741
716 H8N 0.8741
717 EGR 0.8740
718 Q03 0.8738
719 GNM 0.8738
720 75K 0.8738
721 X1S 0.8735
722 GP9 0.8735
723 GT4 0.8734
724 XCZ 0.8734
725 AJ2 0.8733
726 SOR 0.8733
727 30G 0.8732
728 2AK 0.8732
729 RKV 0.8732
730 IOS 0.8729
731 GBN 0.8729
732 1AL 0.8728
733 PXL 0.8728
734 4MV 0.8728
735 E0O 0.8727
736 A13 0.8727
737 4NZ 0.8727
738 PDC 0.8727
739 HDL 0.8726
740 A3M 0.8724
741 GLO 0.8724
742 4TU 0.8721
743 DRG 0.8721
744 R67 0.8720
745 MEQ 0.8719
746 CCD 0.8719
747 M1A 0.8715
748 DDU 0.8713
749 4XV 0.8712
750 6M9 0.8712
751 209 0.8712
752 OW4 0.8711
753 D2G 0.8711
754 NF3 0.8710
755 7WV 0.8710
756 QIV 0.8708
757 A7H 0.8707
758 TAG 0.8707
759 8TX 0.8705
760 3S5 0.8705
761 4HM 0.8703
762 KT7 0.8702
763 LFC 0.8701
764 YPN 0.8701
765 SDD 0.8700
766 505 0.8700
767 MXD 0.8700
768 NLE 0.8700
769 1LQ 0.8698
770 D1X 0.8697
771 6ME 0.8696
772 6SD 0.8696
773 2FX 0.8695
774 3VS 0.8695
775 JKE 0.8694
776 SKF 0.8693
777 ZXD 0.8693
778 GTQ 0.8691
779 ORN 0.8691
780 1X4 0.8691
781 44V 0.8688
782 9UL 0.8687
783 SRO 0.8686
784 5JQ 0.8685
785 M5E 0.8685
786 4BF 0.8684
787 AZ8 0.8683
788 4HC 0.8683
789 3F0 0.8681
790 8K2 0.8681
791 KYA 0.8680
792 3BU 0.8678
793 3M0 0.8678
794 3VX 0.8675
795 GCO 0.8675
796 7ZL 0.8674
797 CLZ 0.8672
798 4ME 0.8672
799 G3H 0.8670
800 8W9 0.8670
801 C21 0.8668
802 AW5 0.8667
803 0FO 0.8663
804 V1T 0.8661
805 S0W 0.8660
806 MZT 0.8657
807 ODK 0.8654
808 LT1 0.8654
809 M5K 0.8653
810 4VY 0.8651
811 OXC 0.8651
812 5OO 0.8650
813 JAH 0.8646
814 CFA 0.8644
815 DEE 0.8644
816 OOG 0.8642
817 S60 0.8642
818 1SQ 0.8640
819 APZ 0.8640
820 NM3 0.8638
821 XXG 0.8638
822 TOF 0.8637
823 EV0 0.8635
824 EUG 0.8634
825 T2D 0.8633
826 JBK 0.8632
827 A5H 0.8630
828 TWO 0.8628
829 PPT 0.8626
830 QX4 0.8626
831 THA 0.8625
832 ZME 0.8619
833 XYL 0.8618
834 RB5 0.8618
835 Y3L 0.8618
836 KBZ 0.8614
837 XLS 0.8612
838 5RG 0.8611
839 HX3 0.8610
840 3VQ 0.8609
841 FBU 0.8609
842 RNT 0.8607
843 J9W 0.8604
844 YTX 0.8603
845 MET 0.8599
846 SSB 0.8598
847 MTL 0.8597
848 BGU 0.8596
849 7WR 0.8593
850 RNS 0.8589
851 GGB 0.8582
852 PCS 0.8582
853 XX3 0.8582
854 JP2 0.8581
855 HHA 0.8580
856 B55 0.8567
857 36M 0.8565
858 HHS 0.8564
859 1GP 0.8561
860 1DW 0.8560
861 KMT 0.8559
862 7MX 0.8557
863 F2W 0.8554
864 DX3 0.8553
865 ZZA 0.8551
866 5GT 0.8550
867 PH2 0.8548
868 5M0 0.8542
869 PE0 0.8542
870 WOT 0.8540
871 4SV 0.8538
872 3IT 0.8537
873 8H8 0.8534
874 DAH 0.8530
875 MEV 0.8529
876 DBX 0.8523
877 RP3 0.8522
878 XUL 0.8519
879 HHR 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1RE9; Ligand: DSO; 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: 1re9.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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