Receptor
PDB id Resolution Class Description Source Keywords
2I2B 2.1 Å EC: 2.7.1.23 CRYSTAL STRUCTURE OF LMNADK1 FROM LISTERIA MONOCYTOGENES LISTERIA MONOCYTOGENES CRYSTAL STRUCTURE OF LMNADK1 IN COMPLEX WITH LIGAND ANALOG TRANSFERASE
Ref.: NAD KINASES USE SUBSTRATE-ASSISTED CATALYSIS FOR SP RECOGNITION OF NAD. J.BIOL.CHEM. V. 282 33925 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CC5 A:273;
A:274;
Valid;
Valid;
none;
none;
submit data
237.215 C9 H11 N5 O3 c1nc(...
CIT A:301;
Invalid;
none;
submit data
192.124 C6 H8 O7 C(C(=...
GOL A:401;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5DHU 2.33 Å EC: 2.7.1.23 CRYSTAL STRUCTURE OF NAD KINASE 1 FROM LISTERIA MONOCYTOGENE COMPLEX WITH A NOVEL INHIBITOR LISTERIA MONOCYTOGENES SEROVAR 1/2A (SATCC BAA-679 / EGD-E) TETRAMERIC NAD KINASE TRANSFERASE
Ref.: 8-THIOALKYL-ADENOSINE DERIVATIVES INHIBIT LISTERIA MONOCYTOGENES NAD KINASE THROUGH A NOVEL BINDING MO EUR.J.MED.CHEM. V. 124 1041 2016
Members (45)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3V7Y - A3N C13 H16 N6 O3 C#CCNC[C@@....
2 2Q5F Ki = 0.02 mM DTA C20 H24 N10 O6 S2 c1nc(c2c(n....
3 6RGD - K2W C24 H29 N11 O7 c1nc(c2c(n....
4 3V8M - Z8B C10 H11 Br N8 O3 c1nc(c2c(n....
5 6RC5 - JYB C9 H9 N5 CCn1c(nc2c....
6 6RBX - JYT C8 H10 Br N5 O c1nc(c2c(n....
7 3V8P - ZNB C22 H26 Br N14 O7 S c1nc(c2c(n....
8 3V7W - ZAS C10 H13 N8 O3 c1nc(c2c(n....
9 6RBO - JXQ C11 H13 N5 C#CCCCCn1c....
10 4DY6 - A22 C20 H27 N10 O16 P3 c1nc(c2c(n....
11 6RR2 - MTA C11 H15 N5 O3 S CSC[C@@H]1....
12 3V80 - AOC C13 H15 N5 O4 C#CCOC[C@@....
13 2I2A Ki = 0.04 mM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 6RG8 - K2K C19 H21 N11 O3 c1nc(c2c(n....
15 6RBV - JYE C8 H9 Br N8 c1nc(c2c(n....
16 2I2D - A2D C20 H26 N10 O13 P2 c1nc(c2c(n....
17 6RGB - K38 C23 H27 N11 O7 c1nc(c2c(n....
18 5DHQ Ki = 2 uM 5AK C20 H23 Br N6 O5 S c1cc(cc(c1....
19 3V8R - 5NB C10 H13 Br N6 O3 c1nc(c2c(n....
20 2I2C Ki = 0.02 mM DTA C20 H24 N10 O6 S2 c1nc(c2c(n....
21 6RGC - K3H C24 H29 N11 O7 CN(CC#Cc1n....
22 6RBU - JYK C7 H7 Br N8 c1nc(c2c(n....
23 2I2F - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 6RBY - JYW C9 H12 Br N5 O c1nc(c2c(n....
25 2I29 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
26 6RC3 - JXW C8 H10 Cl N5 Cc1nc2c(nc....
27 3V8Q - 5N5 C10 H14 N6 O3 c1nc(c2c(n....
28 6RBP - JYN C9 H12 N8 c1nc(c2c(n....
29 6RC4 - JXZ C8 H11 N5 O Cc1nc2c(nc....
30 6RBS - JXT C10 H10 Br N5 C#CCCCn1c2....
31 6RBR - JXN C7 H8 Br N5 CCn1c2c(c(....
32 6RG9 - K3K C23 H26 N10 O8 c1nc(c2c(n....
33 2I2B - CC5 C9 H11 N5 O3 c1nc(c2c(n....
34 5DHR Ki = 23 uM 5AJ C21 H23 N11 O4 S c1ccc2c(c1....
35 6RGA - K3E C23 H27 N11 O7 c1nc(c2c(n....
36 6RBW - JXB C9 H11 Br N8 c1nc(c2c(n....
37 6RBQ - JYQ C11 H15 N5 O S CC(=O)SCCC....
38 6RBZ - JXK C8 H11 Br N6 c1nc(c2c(n....
39 3V8N - 5NB C10 H13 Br N6 O3 c1nc(c2c(n....
40 5DHP Ki = 140 uM 5AQ C20 H24 N6 O5 S c1ccc(cc1)....
41 6RC2 - JY2 C11 H13 N5 Cc1nc2c(nc....
42 6RG7 - K2H C19 H21 N11 O3 CN(CC#Cc1[....
43 5DHU Ki = 0.5 uM 5A8 C22 H24 N10 O4 S c1ccc2c(c1....
44 6RC6 - JY5 C13 H15 N5 O2 c1nc(c2c(n....
45 3V7U - MTA C11 H15 N5 O3 S CSC[C@@H]1....
70% Homology Family (45)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3V7Y - A3N C13 H16 N6 O3 C#CCNC[C@@....
2 2Q5F Ki = 0.02 mM DTA C20 H24 N10 O6 S2 c1nc(c2c(n....
3 6RGD - K2W C24 H29 N11 O7 c1nc(c2c(n....
4 3V8M - Z8B C10 H11 Br N8 O3 c1nc(c2c(n....
5 6RC5 - JYB C9 H9 N5 CCn1c(nc2c....
6 6RBX - JYT C8 H10 Br N5 O c1nc(c2c(n....
7 3V8P - ZNB C22 H26 Br N14 O7 S c1nc(c2c(n....
8 3V7W - ZAS C10 H13 N8 O3 c1nc(c2c(n....
9 6RBO - JXQ C11 H13 N5 C#CCCCCn1c....
10 4DY6 - A22 C20 H27 N10 O16 P3 c1nc(c2c(n....
11 6RR2 - MTA C11 H15 N5 O3 S CSC[C@@H]1....
12 3V80 - AOC C13 H15 N5 O4 C#CCOC[C@@....
13 2I2A Ki = 0.04 mM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 6RG8 - K2K C19 H21 N11 O3 c1nc(c2c(n....
15 6RBV - JYE C8 H9 Br N8 c1nc(c2c(n....
16 2I2D - A2D C20 H26 N10 O13 P2 c1nc(c2c(n....
17 6RGB - K38 C23 H27 N11 O7 c1nc(c2c(n....
18 5DHQ Ki = 2 uM 5AK C20 H23 Br N6 O5 S c1cc(cc(c1....
19 3V8R - 5NB C10 H13 Br N6 O3 c1nc(c2c(n....
20 2I2C Ki = 0.02 mM DTA C20 H24 N10 O6 S2 c1nc(c2c(n....
21 6RGC - K3H C24 H29 N11 O7 CN(CC#Cc1n....
22 6RBU - JYK C7 H7 Br N8 c1nc(c2c(n....
23 2I2F - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 6RBY - JYW C9 H12 Br N5 O c1nc(c2c(n....
25 2I29 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
26 6RC3 - JXW C8 H10 Cl N5 Cc1nc2c(nc....
27 3V8Q - 5N5 C10 H14 N6 O3 c1nc(c2c(n....
28 6RBP - JYN C9 H12 N8 c1nc(c2c(n....
29 6RC4 - JXZ C8 H11 N5 O Cc1nc2c(nc....
30 6RBS - JXT C10 H10 Br N5 C#CCCCn1c2....
31 6RBR - JXN C7 H8 Br N5 CCn1c2c(c(....
32 6RG9 - K3K C23 H26 N10 O8 c1nc(c2c(n....
33 2I2B - CC5 C9 H11 N5 O3 c1nc(c2c(n....
34 5DHR Ki = 23 uM 5AJ C21 H23 N11 O4 S c1ccc2c(c1....
35 6RGA - K3E C23 H27 N11 O7 c1nc(c2c(n....
36 6RBW - JXB C9 H11 Br N8 c1nc(c2c(n....
37 6RBQ - JYQ C11 H15 N5 O S CC(=O)SCCC....
38 6RBZ - JXK C8 H11 Br N6 c1nc(c2c(n....
39 3V8N - 5NB C10 H13 Br N6 O3 c1nc(c2c(n....
40 5DHP Ki = 140 uM 5AQ C20 H24 N6 O5 S c1ccc(cc1)....
41 6RC2 - JY2 C11 H13 N5 Cc1nc2c(nc....
42 6RG7 - K2H C19 H21 N11 O3 CN(CC#Cc1[....
43 5DHU Ki = 0.5 uM 5A8 C22 H24 N10 O4 S c1ccc2c(c1....
44 6RC6 - JY5 C13 H15 N5 O2 c1nc(c2c(n....
45 3V7U - MTA C11 H15 N5 O3 S CSC[C@@H]1....
50% Homology Family (45)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3V7Y - A3N C13 H16 N6 O3 C#CCNC[C@@....
2 2Q5F Ki = 0.02 mM DTA C20 H24 N10 O6 S2 c1nc(c2c(n....
3 6RGD - K2W C24 H29 N11 O7 c1nc(c2c(n....
4 3V8M - Z8B C10 H11 Br N8 O3 c1nc(c2c(n....
5 6RC5 - JYB C9 H9 N5 CCn1c(nc2c....
6 6RBX - JYT C8 H10 Br N5 O c1nc(c2c(n....
7 3V8P - ZNB C22 H26 Br N14 O7 S c1nc(c2c(n....
8 3V7W - ZAS C10 H13 N8 O3 c1nc(c2c(n....
9 6RBO - JXQ C11 H13 N5 C#CCCCCn1c....
10 4DY6 - A22 C20 H27 N10 O16 P3 c1nc(c2c(n....
11 6RR2 - MTA C11 H15 N5 O3 S CSC[C@@H]1....
12 3V80 - AOC C13 H15 N5 O4 C#CCOC[C@@....
13 2I2A Ki = 0.04 mM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 6RG8 - K2K C19 H21 N11 O3 c1nc(c2c(n....
15 6RBV - JYE C8 H9 Br N8 c1nc(c2c(n....
16 2I2D - A2D C20 H26 N10 O13 P2 c1nc(c2c(n....
17 6RGB - K38 C23 H27 N11 O7 c1nc(c2c(n....
18 5DHQ Ki = 2 uM 5AK C20 H23 Br N6 O5 S c1cc(cc(c1....
19 3V8R - 5NB C10 H13 Br N6 O3 c1nc(c2c(n....
20 2I2C Ki = 0.02 mM DTA C20 H24 N10 O6 S2 c1nc(c2c(n....
21 6RGC - K3H C24 H29 N11 O7 CN(CC#Cc1n....
22 6RBU - JYK C7 H7 Br N8 c1nc(c2c(n....
23 2I2F - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 6RBY - JYW C9 H12 Br N5 O c1nc(c2c(n....
25 2I29 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
26 6RC3 - JXW C8 H10 Cl N5 Cc1nc2c(nc....
27 3V8Q - 5N5 C10 H14 N6 O3 c1nc(c2c(n....
28 6RBP - JYN C9 H12 N8 c1nc(c2c(n....
29 6RC4 - JXZ C8 H11 N5 O Cc1nc2c(nc....
30 6RBS - JXT C10 H10 Br N5 C#CCCCn1c2....
31 6RBR - JXN C7 H8 Br N5 CCn1c2c(c(....
32 6RG9 - K3K C23 H26 N10 O8 c1nc(c2c(n....
33 2I2B - CC5 C9 H11 N5 O3 c1nc(c2c(n....
34 5DHR Ki = 23 uM 5AJ C21 H23 N11 O4 S c1ccc2c(c1....
35 6RGA - K3E C23 H27 N11 O7 c1nc(c2c(n....
36 6RBW - JXB C9 H11 Br N8 c1nc(c2c(n....
37 6RBQ - JYQ C11 H15 N5 O S CC(=O)SCCC....
38 6RBZ - JXK C8 H11 Br N6 c1nc(c2c(n....
39 3V8N - 5NB C10 H13 Br N6 O3 c1nc(c2c(n....
40 5DHP Ki = 140 uM 5AQ C20 H24 N6 O5 S c1ccc(cc1)....
41 6RC2 - JY2 C11 H13 N5 Cc1nc2c(nc....
42 6RG7 - K2H C19 H21 N11 O3 CN(CC#Cc1[....
43 5DHU Ki = 0.5 uM 5A8 C22 H24 N10 O4 S c1ccc2c(c1....
44 6RC6 - JY5 C13 H15 N5 O2 c1nc(c2c(n....
45 3V7U - MTA C11 H15 N5 O3 S CSC[C@@H]1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: CC5; Similar ligands found: 113
No: Ligand ECFP6 Tc MDL keys Tc
1 CC5 1 1
2 5AD 0.568965 0.883333
3 ADN 0.55 0.935484
4 XYA 0.55 0.935484
5 RAB 0.55 0.935484
6 3AD 0.548387 0.95082
7 7D7 0.533333 0.84375
8 5N5 0.532258 0.904762
9 Y3J 0.532258 0.854839
10 NWW 0.52381 0.868852
11 A4D 0.52381 0.904762
12 5CD 0.52381 0.919355
13 MTA 0.507463 0.876923
14 RP1 0.5 0.791667
15 KF5 0.5 0.676923
16 EP4 0.5 0.850746
17 SP1 0.5 0.791667
18 DTA 0.492537 0.863636
19 M2T 0.492537 0.826087
20 KL2 0.485294 0.760563
21 5F1 0.484848 0.830769
22 LMS 0.478873 0.734177
23 3D1 0.476923 0.876923
24 3L1 0.476923 0.876923
25 2AM 0.471429 0.788732
26 NWQ 0.471429 0.84127
27 3DH 0.471429 0.876923
28 NOC 0.46875 0.84127
29 2BA 0.466667 0.838235
30 CMP 0.466667 0.850746
31 AOC 0.465753 0.90625
32 3AM 0.464789 0.8
33 ACK 0.458333 0.782609
34 AMP 0.458333 0.84058
35 ZAS 0.458333 0.838235
36 A 0.458333 0.84058
37 7D5 0.457143 0.753425
38 AMP MG 0.452055 0.852941
39 OVE 0.452055 0.756757
40 SRA 0.452055 0.794521
41 6RE 0.452055 0.828571
42 NEC 0.445946 0.818182
43 N5O 0.445946 0.863636
44 A3G 0.445946 0.907692
45 DSH 0.445946 0.84058
46 QQX 0.444444 0.72973
47 NA7 0.443182 0.808219
48 5AS 0.441558 0.690476
49 ABM 0.44 0.816901
50 A2D 0.44 0.816901
51 J7C 0.44 0.84058
52 45A 0.44 0.816901
53 A3N 0.44 0.863636
54 QQY 0.438356 0.739726
55 N5A 0.434211 0.833333
56 GJV 0.434211 0.816901
57 S4M 0.434211 0.763158
58 AP2 0.428571 0.808219
59 BA3 0.428571 0.816901
60 MAO 0.428571 0.776316
61 A12 0.428571 0.808219
62 A3P 0.428571 0.814286
63 A2P 0.428571 0.8
64 ARJ 0.426471 0.825397
65 CUU 0.425 0.816901
66 5X8 0.425 0.892308
67 2VA 0.425 0.878788
68 AF2 AF2 AF2 AF2 AF2 AF2 0.423077 0.736111
69 AP5 0.423077 0.816901
70 ADP 0.423077 0.816901
71 B4P 0.423077 0.816901
72 NWZ 0.419753 0.814286
73 APC 0.419753 0.808219
74 0XU 0.419753 0.848485
75 A3S 0.417722 0.921875
76 AT4 0.417722 0.783784
77 ADP MG 0.417722 0.84058
78 SON 0.417722 0.808219
79 A7D 0.417722 0.907692
80 ADP BEF 0.417722 0.84058
81 AN2 0.417722 0.805556
82 7D3 0.415584 0.733333
83 M33 0.4125 0.805556
84 MHZ 0.4125 0.753247
85 AU1 0.4125 0.794521
86 ADX 0.4125 0.734177
87 CA0 0.4125 0.794521
88 G5A 0.409639 0.710843
89 DA 0.407895 0.777778
90 D5M 0.407895 0.777778
91 A3T 0.407407 0.90625
92 SFG 0.407407 0.876923
93 ATP 0.407407 0.816901
94 KG4 0.407407 0.794521
95 H1Q 0.407407 0.828571
96 HEJ 0.407407 0.816901
97 50T 0.407407 0.805556
98 ACP 0.407407 0.819444
99 AFX 0.405797 0.73913
100 3AT 0.404762 0.816901
101 NX8 0.404762 0.802817
102 A1R 0.404494 0.786667
103 AS 0.402597 0.736842
104 APR 0.402439 0.816901
105 5FA 0.402439 0.816901
106 2A5 0.402439 0.77027
107 PRX 0.402439 0.794521
108 AQP 0.402439 0.816901
109 AR6 0.402439 0.816901
110 54H 0.402299 0.698795
111 VMS 0.402299 0.698795
112 52H 0.402299 0.690476
113 103 0.4 0.736111
Similar Ligands (3D)
Ligand no: 1; Ligand: CC5; Similar ligands found: 893
No: Ligand Similarity coefficient
1 9UL 0.9650
2 TRP 0.9534
3 5FD 0.9445
4 NOS 0.9444
5 92O 0.9422
6 DTE 0.9405
7 XIF XYP 0.9397
8 22L 0.9390
9 5I5 0.9390
10 FWD 0.9376
11 M5H 0.9365
12 AD3 0.9358
13 TBN 0.9355
14 4Z9 0.9353
15 DTR 0.9349
16 1DA 0.9340
17 S0G 0.9337
18 MPU 0.9335
19 2JX 0.9332
20 363 0.9325
21 QME 0.9324
22 KP2 0.9314
23 XYP XIF 0.9312
24 CTE 0.9307
25 KWB 0.9306
26 LTN 0.9306
27 RVE 0.9302
28 FMC 0.9300
29 LL1 0.9300
30 5E5 0.9300
31 DXK 0.9297
32 ETV 0.9288
33 96Z 0.9287
34 MIL 0.9286
35 XDL XYP 0.9284
36 2P3 0.9284
37 7AP 0.9284
38 5V7 0.9283
39 9FH 0.9282
40 AOJ 0.9281
41 M02 0.9281
42 CWD 0.9281
43 BIO 0.9271
44 H7S 0.9265
45 FTU 0.9262
46 0OK 0.9256
47 1VK 0.9256
48 GMP 0.9255
49 EXR 0.9253
50 YE6 0.9246
51 ZSP 0.9244
52 MDR 0.9243
53 XYP XDN 0.9242
54 LLT 0.9242
55 0SY 0.9240
56 4AB 0.9239
57 NEU 0.9237
58 IMH 0.9237
59 UA2 0.9234
60 833 0.9234
61 XYP XYP 0.9232
62 5ID 0.9224
63 HBI 0.9223
64 H2B 0.9223
65 XIL 0.9222
66 X48 0.9221
67 H4B 0.9221
68 6J9 0.9221
69 FMB 0.9218
70 LVY 0.9214
71 EKH 0.9214
72 TMC 0.9212
73 2FA 0.9212
74 HPR 0.9207
75 F40 0.9205
76 XCG 0.9198
77 G14 0.9197
78 XDN XYP 0.9196
79 8D6 0.9195
80 2GQ 0.9194
81 4NR 0.9190
82 PUR 0.9189
83 54F 0.9189
84 8OX 0.9189
85 42R 0.9188
86 CL9 0.9186
87 IQW 0.9185
88 9DI 0.9183
89 APS 0.9179
90 S0D 0.9179
91 GZV 0.9179
92 BP7 0.9177
93 IOS 0.9176
94 BWD 0.9176
95 EV2 0.9176
96 BPY 0.9174
97 ITW 0.9172
98 TIA 0.9172
99 EVO 0.9168
100 5NB 0.9167
101 NEO 0.9166
102 MXD 0.9163
103 78U 0.9163
104 4FF 0.9162
105 4MP 0.9161
106 W29 0.9160
107 CUQ 0.9157
108 GXG 0.9157
109 ARP 0.9156
110 PRH 0.9152
111 XFE 0.9152
112 BZM 0.9151
113 GNG 0.9148
114 DBS 0.9148
115 3Y7 0.9147
116 3CA 0.9145
117 JFS 0.9140
118 F01 0.9135
119 N1E 0.9134
120 THM 0.9134
121 IWD 0.9132
122 I2E 0.9130
123 9FG 0.9129
124 II4 0.9127
125 3WJ 0.9126
126 EF2 0.9126
127 FCW 0.9122
128 M01 0.9122
129 5JT 0.9120
130 ODK 0.9120
131 54X 0.9118
132 N2M 0.9116
133 KYN 0.9115
134 3BH 0.9115
135 4UO 0.9114
136 IAC 0.9113
137 92P 0.9110
138 B41 0.9109
139 4GU 0.9108
140 FMQ 0.9108
141 1A5 0.9106
142 H75 0.9105
143 RPP 0.9105
144 0FR 0.9104
145 RKV 0.9104
146 LTT 0.9103
147 4CN 0.9101
148 CUT 0.9099
149 6CR 0.9099
150 EXG 0.9098
151 1ZC 0.9098
152 SNI 0.9098
153 1CY 0.9097
154 JCZ 0.9096
155 MUK 0.9096
156 FT6 0.9094
157 P2L 0.9091
158 3VW 0.9091
159 CUH 0.9091
160 2K8 0.9089
161 3IL 0.9086
162 DUR 0.9086
163 MEX 0.9083
164 VUP 0.9081
165 JF8 0.9079
166 Y70 0.9079
167 CDY 0.9078
168 3TC 0.9076
169 C2M 0.9073
170 A4T 0.9073
171 TMG 0.9072
172 BP3 0.9072
173 PVQ 0.9070
174 MMS 0.9069
175 7O4 0.9069
176 ZIQ 0.9069
177 AC2 0.9068
178 54E 0.9065
179 HH6 0.9065
180 XTS 0.9065
181 3D8 0.9064
182 WLH 0.9064
183 B4O 0.9064
184 A4V 0.9063
185 7L4 0.9063
186 DE7 0.9063
187 NIY 0.9063
188 AVX 0.9061
189 C0H 0.9061
190 MTP 0.9060
191 B5A 0.9059
192 C4E 0.9059
193 Z21 0.9058
194 CMU 0.9058
195 K80 0.9058
196 X6P 0.9058
197 BHS 0.9057
198 4EU 0.9056
199 FM1 0.9053
200 AVA 0.9053
201 1Q4 0.9052
202 ZYV 0.9052
203 535 0.9052
204 BBY 0.9049
205 PVK 0.9046
206 68A 0.9045
207 CPW 0.9044
208 PE2 0.9044
209 ZZA 0.9037
210 DAH 0.9037
211 6MD 0.9036
212 0ON 0.9036
213 CH9 0.9035
214 8DA 0.9033
215 5UD 0.9033
216 MTH 0.9031
217 HWD 0.9031
218 DDU 0.9030
219 TCC 0.9028
220 50C 0.9027
221 3IP 0.9027
222 2FD 0.9026
223 5S9 0.9026
224 IOP 0.9025
225 GO2 0.9024
226 AUV 0.9024
227 A4N 0.9024
228 9CE 0.9024
229 ZRK 0.9023
230 1AJ 0.9023
231 CGW 0.9023
232 9BF 0.9023
233 2D2 0.9021
234 PUE 0.9021
235 V2Z 0.9020
236 THU 0.9018
237 EXL 0.9017
238 1QP 0.9017
239 JA3 0.9017
240 4OG 0.9017
241 PJW 0.9014
242 FM2 0.9010
243 VM1 0.9008
244 GFE 0.9007
245 2PV 0.9006
246 HVE 0.9006
247 YOF 0.9004
248 2QU 0.9004
249 0OY 0.9003
250 I59 0.9003
251 TI7 0.9001
252 NPS 0.9000
253 6EL 0.9000
254 7ZL 0.9000
255 2UD 0.8999
256 QMS 0.8999
257 MPK 0.8999
258 MZR 0.8998
259 0OL 0.8997
260 VT3 0.8997
261 NAL 0.8996
262 977 0.8996
263 26A 0.8995
264 6WR 0.8994
265 7EH 0.8994
266 3AK 0.8993
267 JO5 0.8992
268 OUB 0.8991
269 3F4 0.8991
270 C93 0.8990
271 F18 0.8990
272 RGK 0.8989
273 25F 0.8989
274 IMG 0.8989
275 SZ5 0.8988
276 69K 0.8986
277 M4B 0.8985
278 FPL 0.8985
279 M2E 0.8985
280 CHQ 0.8982
281 TCL 0.8982
282 SV4 0.8982
283 GJP 0.8981
284 0GA 0.8980
285 WV7 0.8980
286 SYE 0.8978
287 W23 0.8978
288 50Q 0.8977
289 Q0K 0.8977
290 M3Q 0.8976
291 ALE 0.8976
292 P4L 0.8976
293 2LT 0.8976
294 2DL 0.8976
295 KW7 0.8976
296 DKZ 0.8976
297 MJ5 0.8975
298 MG7 0.8975
299 6J5 0.8974
300 FZM 0.8974
301 M3W 0.8974
302 5NN 0.8974
303 ZYW 0.8974
304 MTI 0.8973
305 4I8 0.8972
306 MTM 0.8971
307 G6P 0.8971
308 BGP 0.8970
309 XDK 0.8970
310 XYS XYS 0.8970
311 NWD 0.8970
312 X2M 0.8970
313 6DQ 0.8969
314 0J4 0.8968
315 BZQ 0.8968
316 DC5 0.8967
317 ZME 0.8966
318 0DN 0.8966
319 TCR 0.8966
320 68B 0.8965
321 89J 0.8965
322 BC3 0.8963
323 SCT 0.8963
324 JRB 0.8960
325 3IB 0.8959
326 4L2 0.8959
327 FF2 0.8958
328 CTN 0.8958
329 MOK 0.8957
330 DKX 0.8956
331 GF4 0.8955
332 URI 0.8955
333 A7Q 0.8955
334 EQA 0.8953
335 SQP 0.8953
336 EAT 0.8950
337 1A7 0.8949
338 5MD 0.8949
339 GNW 0.8948
340 CFE 0.8948
341 4RU 0.8947
342 9H2 0.8946
343 0UL 0.8946
344 M78 0.8946
345 CJB 0.8946
346 7G0 0.8945
347 848 0.8944
348 WCU 0.8943
349 3VQ 0.8942
350 K48 0.8938
351 A9B 0.8937
352 PBQ 0.8937
353 CP6 0.8936
354 38B 0.8936
355 ONZ 0.8936
356 9B3 0.8935
357 6HX 0.8935
358 PIQ 0.8934
359 KMY 0.8934
360 8OB 0.8934
361 FNA 0.8933
362 TSR 0.8933
363 E3X 0.8932
364 JGB 0.8931
365 WVV 0.8931
366 Y0V 0.8930
367 DCF 0.8929
368 FTV 0.8929
369 DBM 0.8927
370 3SU 0.8927
371 3RP 0.8927
372 MFR 0.8927
373 L13 0.8925
374 HO4 0.8924
375 8OE 0.8924
376 TAL 0.8924
377 T1N 0.8923
378 22T 0.8922
379 XI7 0.8922
380 C53 0.8921
381 W8G 0.8921
382 2PK 0.8919
383 JSX 0.8918
384 NPX 0.8917
385 DBE 0.8917
386 TOH 0.8916
387 5B2 0.8916
388 LJ3 0.8915
389 5P3 0.8915
390 H70 0.8915
391 PQS 0.8915
392 6J3 0.8913
393 5VL 0.8912
394 0DF 0.8912
395 B86 0.8912
396 DCN 0.8912
397 EES 0.8909
398 272 0.8909
399 Q5M 0.8908
400 BB4 0.8906
401 GA2 0.8906
402 FYR 0.8905
403 ZEC 0.8905
404 LJ4 0.8904
405 JYK 0.8903
406 C2Y 0.8903
407 SG2 0.8902
408 OA1 0.8902
409 3WK 0.8902
410 RSV 0.8901
411 6SD 0.8900
412 RFZ 0.8899
413 2O6 0.8899
414 61M 0.8898
415 SKF 0.8898
416 CH8 0.8898
417 XRS 0.8897
418 ZON 0.8897
419 92G 0.8897
420 6HO 0.8896
421 KLE 0.8896
422 E9S 0.8896
423 AMR 0.8895
424 0OO 0.8894
425 AU8 0.8892
426 PLP 0.8892
427 X29 0.8891
428 OX2 0.8891
429 8MP 0.8891
430 1SF 0.8890
431 15N 0.8888
432 1FL 0.8887
433 M5E 0.8887
434 5FL 0.8886
435 3DT 0.8886
436 16Z 0.8885
437 SY4 0.8885
438 N8Z 0.8884
439 JMG 0.8883
440 NYJ 0.8881
441 AGI 0.8880
442 I5A 0.8879
443 F4U 0.8877
444 DCZ 0.8875
445 5F8 0.8873
446 J27 0.8872
447 DX2 0.8871
448 TGW 0.8871
449 3WO 0.8871
450 3WN 0.8871
451 EXD 0.8870
452 EVF 0.8869
453 MCY 0.8869
454 NK5 0.8869
455 EQW 0.8869
456 ENO 0.8868
457 TR4 0.8867
458 AAN 0.8866
459 X04 0.8866
460 AHU 0.8864
461 EYY 0.8864
462 S7D 0.8863
463 ALN 0.8863
464 27M 0.8863
465 TT4 0.8863
466 M6P 0.8863
467 6ZW 0.8862
468 MP5 0.8861
469 0F9 0.8861
470 0JD 0.8860
471 4BX 0.8859
472 5BT 0.8858
473 0FK 0.8858
474 A73 0.8858
475 DFL 0.8858
476 L2K 0.8858
477 STZ 0.8857
478 PZ8 0.8857
479 XYP XYS 0.8856
480 N91 0.8855
481 FCD 0.8854
482 PMP 0.8853
483 6NZ 0.8853
484 BZE 0.8853
485 1KN 0.8852
486 RE4 0.8852
487 XYS XYP 0.8850
488 TZM 0.8849
489 8HG 0.8849
490 5WN 0.8849
491 YUG 0.8849
492 CP7 0.8849
493 B61 0.8849
494 B4L 0.8848
495 4ZF 0.8848
496 L5D 0.8848
497 GXD 0.8847
498 CBE 0.8845
499 7VF 0.8844
500 ID2 0.8844
501 2KU 0.8843
502 HX8 0.8843
503 5C1 0.8842
504 OA4 0.8842
505 ID8 0.8842
506 6P3 0.8841
507 ONR 0.8841
508 PQM 0.8839
509 5O5 0.8838
510 PPY 0.8837
511 7MX 0.8836
512 0J5 0.8833
513 AX4 0.8833
514 JMQ 0.8829
515 1V1 0.8829
516 RKN 0.8828
517 657 0.8826
518 NAG 0.8825
519 IA2 0.8824
520 5WK 0.8823
521 YIH 0.8823
522 4AU 0.8821
523 7PJ 0.8821
524 HNK 0.8820
525 5GT 0.8820
526 51Y 0.8818
527 5SJ 0.8818
528 28A 0.8817
529 K7H 0.8816
530 TJM 0.8815
531 1QV 0.8815
532 MD6 0.8815
533 F1X 0.8814
534 BQ2 0.8814
535 HNL 0.8814
536 RUG 0.8812
537 JR2 0.8812
538 3VX 0.8812
539 B21 0.8810
540 3GX 0.8810
541 CC6 0.8810
542 S46 0.8810
543 FB4 0.8809
544 JOB 0.8809
545 F5C 0.8809
546 5OF 0.8808
547 NTF 0.8808
548 D64 0.8808
549 5DS 0.8807
550 OQC 0.8807
551 R20 0.8807
552 SJK 0.8806
553 46P 0.8806
554 1WC 0.8805
555 TB8 0.8804
556 CEG 0.8804
557 NXB 0.8803
558 AWE 0.8803
559 1HP 0.8803
560 L3L 0.8802
561 A9K 0.8802
562 GEN 0.8801
563 LZ5 0.8801
564 BGN 0.8800
565 JY2 0.8799
566 DHC 0.8799
567 NE1 0.8799
568 AJ4 0.8799
569 H35 0.8798
570 H2W 0.8797
571 A5E 0.8797
572 MAJ 0.8797
573 MBY 0.8794
574 NIR 0.8793
575 HNH 0.8792
576 1ER 0.8790
577 GZ2 0.8790
578 WOE 0.8790
579 URD 0.8790
580 F4K 0.8789
581 HLP 0.8789
582 IQQ 0.8789
583 JXK 0.8789
584 ZRL 0.8789
585 A7K 0.8788
586 E6Q 0.8788
587 LP8 0.8787
588 8NX 0.8787
589 PMM 0.8786
590 20D 0.8786
591 SOJ 0.8786
592 B2Y 0.8785
593 5H6 0.8784
594 KMP 0.8783
595 S1D 0.8783
596 D1Y 0.8782
597 AUE 0.8781
598 EYJ 0.8781
599 3XH 0.8781
600 CDJ 0.8780
601 57D 0.8779
602 IYR 0.8779
603 HHV 0.8778
604 LNR 0.8777
605 DHY 0.8776
606 ERZ 0.8774
607 LFQ 0.8773
608 X11 0.8772
609 EYV 0.8772
610 X0T 0.8772
611 LWS 0.8771
612 BG6 0.8771
613 PLR 0.8770
614 S0E 0.8769
615 13A 0.8769
616 4WF 0.8769
617 4K2 0.8768
618 GPK 0.8768
619 4AF 0.8768
620 VC3 0.8767
621 BY5 0.8767
622 4NS 0.8767
623 AUG 0.8766
624 TLF 0.8766
625 KTJ 0.8765
626 R9G 0.8765
627 W8L 0.8765
628 VXX 0.8764
629 M4E 0.8763
630 VBC 0.8763
631 AZC 0.8763
632 NKI 0.8763
633 ZEB 0.8762
634 11X 0.8762
635 7CI 0.8759
636 4R1 0.8758
637 NLA 0.8758
638 4FP 0.8758
639 MCF 0.8758
640 0J2 0.8757
641 A4G 0.8757
642 DTY 0.8757
643 GO8 0.8756
644 HA6 0.8756
645 M77 0.8755
646 BMC 0.8754
647 IL5 0.8754
648 BP6 0.8752
649 26C 0.8751
650 FER 0.8749
651 EUH 0.8749
652 8UY 0.8747
653 2QV 0.8747
654 TYR 0.8746
655 LR2 0.8746
656 NDG 0.8745
657 1HN 0.8745
658 DK4 0.8744
659 DNB 0.8743
660 39Z 0.8742
661 2TU 0.8742
662 CK2 0.8738
663 AP6 0.8737
664 5E4 0.8737
665 14N 0.8737
666 6C9 0.8737
667 A5Q 0.8736
668 1Z6 0.8735
669 0QW 0.8734
670 SQV 0.8734
671 HJH 0.8734
672 2OH 0.8734
673 GPU 0.8734
674 GPQ 0.8734
675 MUX 0.8733
676 Z15 0.8732
677 OLU 0.8731
678 N2Y 0.8731
679 Z57 0.8730
680 8U3 0.8729
681 56N 0.8728
682 1U7 0.8728
683 FY8 0.8727
684 61O 0.8727
685 A1Y 0.8727
686 JAH 0.8726
687 8Y7 0.8725
688 E9P 0.8725
689 CPZ 0.8724
690 MW5 0.8724
691 EAJ 0.8723
692 1BW 0.8723
693 9ZE 0.8723
694 BSA 0.8722
695 78P 0.8722
696 Q4G 0.8721
697 7EL 0.8720
698 CG8 0.8720
699 GNM 0.8718
700 GRX 0.8718
701 6H2 0.8718
702 64I 0.8717
703 88R 0.8716
704 FHC 0.8716
705 2L1 0.8715
706 N9J 0.8715
707 J4K 0.8714
708 GLP 0.8713
709 BRH 0.8713
710 Z25 0.8709
711 B23 0.8708
712 TYC 0.8707
713 C0W 0.8707
714 RVD 0.8706
715 KLV 0.8706
716 YF3 0.8706
717 EGR 0.8705
718 3UG 0.8704
719 R9J 0.8704
720 9E3 0.8703
721 5RO 0.8702
722 9JT 0.8702
723 9F8 0.8702
724 MPV 0.8701
725 ELH 0.8701
726 2LY 0.8701
727 OCZ 0.8700
728 F52 0.8700
729 XYP AHR 0.8700
730 2L2 0.8698
731 46M 0.8698
732 PXP 0.8697
733 CTD 0.8696
734 QZ8 0.8696
735 3EB 0.8696
736 1V3 0.8696
737 L5V 0.8694
738 CQW 0.8693
739 B52 0.8693
740 C1M 0.8691
741 C6Z 0.8689
742 3LJ 0.8689
743 RNK 0.8688
744 6DE 0.8688
745 49O 0.8688
746 4NP 0.8688
747 BNX 0.8688
748 NAR 0.8687
749 PFF 0.8687
750 HA5 0.8687
751 EI1 0.8687
752 4GP 0.8687
753 ACE TRP 0.8687
754 38E 0.8686
755 EN1 0.8684
756 9KZ 0.8683
757 1V4 0.8681
758 LZJ 0.8681
759 5AE 0.8680
760 JAK 0.8680
761 H4E 0.8679
762 LVD 0.8679
763 FUZ 0.8679
764 27B 0.8678
765 VJJ 0.8678
766 MPP 0.8678
767 PF1 0.8677
768 P7Y 0.8677
769 YZM 0.8676
770 PZP 0.8675
771 T2D 0.8675
772 PPN 0.8674
773 TC8 0.8674
774 GI1 0.8674
775 36E 0.8674
776 6HP 0.8672
777 JPQ 0.8672
778 CLU 0.8671
779 C9E 0.8671
780 YE7 0.8670
781 DEW 0.8670
782 JXT 0.8669
783 428 0.8668
784 YZ9 0.8668
785 HO6 0.8663
786 3DE 0.8661
787 TO1 0.8661
788 A6H 0.8660
789 TXW 0.8660
790 P0P 0.8659
791 49P 0.8657
792 TPR 0.8657
793 L21 0.8657
794 QBP 0.8656
795 6L6 0.8655
796 OJD 0.8655
797 EXX 0.8650
798 A4Q 0.8650
799 3JC 0.8648
800 HWH 0.8648
801 FHI 0.8646
802 AJD 0.8645
803 SLY 0.8644
804 GN6 0.8642
805 CXH 0.8641
806 7G1 0.8638
807 6PB 0.8638
808 MFZ 0.8637
809 0Q2 0.8636
810 BIE 0.8636
811 BXZ 0.8636
812 GDL 0.8634
813 EZN 0.8634
814 15Q 0.8634
815 N3W 0.8634
816 4MB 0.8634
817 HX4 0.8633
818 ITE 0.8633
819 CJZ 0.8632
820 ZHA 0.8632
821 Z16 0.8631
822 J84 0.8630
823 3QI 0.8630
824 3B4 0.8630
825 9PL 0.8629
826 SX3 0.8628
827 AOT 0.8628
828 4BF 0.8627
829 BVA 0.8627
830 DX7 0.8627
831 JB8 0.8626
832 D9Z 0.8626
833 AY4 0.8626
834 M3E 0.8625
835 F4E 0.8625
836 PYU 0.8625
837 C82 0.8624
838 CCV 0.8624
839 6MW 0.8624
840 GAT 0.8621
841 D6G 0.8620
842 JF1 0.8619
843 GJK 0.8618
844 JVQ 0.8618
845 P93 0.8616
846 M6H 0.8616
847 2UB 0.8615
848 OUA 0.8615
849 0NX 0.8614
850 MN QAY 0.8611
851 MNP 0.8610
852 6GP 0.8608
853 AKD 0.8607
854 HNT 0.8607
855 FC2 0.8604
856 2B4 0.8603
857 80G 0.8603
858 2JM 0.8601
859 WDW 0.8598
860 M6D 0.8595
861 D1G 0.8594
862 F69 0.8594
863 FT2 0.8592
864 Q8G 0.8592
865 PLP PMP 0.8587
866 CIY 0.8584
867 JDN 0.8584
868 A5K 0.8584
869 U7E 0.8583
870 1YO 0.8582
871 1OS 0.8580
872 4FE 0.8580
873 AX8 0.8576
874 MQS 0.8576
875 N7I 0.8574
876 A4B 0.8573
877 SA0 0.8573
878 5DE 0.8573
879 7QV 0.8572
880 IQU 0.8569
881 IMK 0.8563
882 4HB 0.8561
883 QUS 0.8561
884 9GP 0.8553
885 56D 0.8553
886 E0O 0.8550
887 YTX 0.8549
888 5O6 0.8548
889 S0F 0.8544
890 47X 0.8538
891 PNP 0.8534
892 0LO 0.8520
893 KLK 0.8514
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5DHU; Ligand: 5A8; 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: 5dhu.bio1) has 55 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5DHU; Ligand: 5A8; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5dhu.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5DHU; Ligand: 5A8; 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: 5dhu.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5DHU; Ligand: 5A8; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5dhu.bio1) has 55 residues
No: Leader PDB Ligand Sequence Similarity
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