Receptor
PDB id Resolution Class Description Source Keywords
4g46 1.52 Å EC: 1.14.-.- STRUCTURE OF CYTOCHROME P450 CYP121 IN COMPLEX WITH 4-OXO-4, TETRAHYDROBENZOFURAN-3-CARBOXYLATE MYCOBACTERIUM TUBERCULOSIS P450 OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR COMPLEX
Ref.: APPLICATION OF FRAGMENT SCREENING AND MERGING TO TH DISCOVERY OF INHIBITORS OF THE MYCOBACTERIUM TUBERC CYTOCHROME P450 CYP121 ANGEW.CHEM.INT.ED.ENGL. V. 51 9311 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HEM A:401;
Part of Protein;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
SO4 A:402;
A:403;
A:404;
A:405;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
TTY A:406;
Valid;
none;
Kd ~ 3 mM
180.157 C9 H8 O4 c1c(c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6RQ8 1.41 Å EC: 1.14.-.- CYP121 IN COMPLEX WITH 3-IODO DICYCLOTYROSINE MYCOBACTERIUM TUBERCULOSIS CYP121 P450 DICYCLOTYROSINE DERIVATIVES HEME OXIDOREDUCT
Ref.: STRUCTURE-ACTIVITY RELATIONSHIPS OF CYCLO (L-TYROSYL-L-TYROSINE) DERIVATIVES BINDING TO MYCOB TUBERCULOSIS CYP121: IODINATED ANALOGUES PROMOTE SH HIGH-SPIN ADDUCT. J.MED.CHEM. V. 62 9792 2019
Members (42)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 4G45 Kd = 400 uM MQN C10 H10 N2 Cc1ccc2cc(....
2 4IQ7 Kd = 1561 uM 1G9 C12 H14 N2 O3 C[C@H]1C(=....
3 5IBF Kd = 140 uM 69W C15 H14 N4 c1cc(cc(c1....
4 4IPW Kd = 14.5 uM 1G7 C18 H18 N2 O5 c1cc(ccc1C....
5 5IBD - GGJ C22 H20 N4 O COc1ccc(cc....
6 4G46 Kd ~ 3 mM TTY C9 H8 O4 c1c(c2c(o1....
7 4IPS Kd = 657 uM 1G4 C18 H20 N2 O3 c1cc(ccc1C....
8 5IBG Kd = 4.5 uM 69S C21 H18 N4 O2 c1cc(cc(c1....
9 6GEO Kd = 3.31 uM EW2 C21 H16 Cl N5 c1ccc(cc1)....
10 4KTJ Kd = 1.9 mM KTJ C9 H9 N3 O c1cc(ccc1c....
11 6GEQ Kd = 218.6 uM EW5 C21 H17 N5 O c1ccc(cc1)....
12 5OPA Kd = 4.16 uM A2W C19 H15 F N4 c1ccc(cc1)....
13 6RQ5 Kd = 15.1 uM KEB C20 H22 N2 O4 Cc1cc(cc(c....
14 6RQ0 Kd = 1.1 uM KE2 C19 H20 N2 O4 Cc1cc(ccc1....
15 4KTK Kd = 180 uM KTK C15 H13 N3 O3 c1cc(ccc1c....
16 5IBH Kd = 275 uM 69R C19 H17 N5 O2 c1cc(ccc1c....
17 5O4L - 9KB C17 H21 F N4 O c1cc(ccc1C....
18 4KTF Kd = 40 uM 1TM C15 H13 N3 O2 c1cc(ccc1c....
19 4IQ9 Kd = 39 uM 1GB C20 H19 N3 O3 c1ccc2c(c1....
20 4ICT Kd = 45.6 uM 1ED C18 H18 N2 O3 c1ccc(cc1)....
21 5IBI Kd = 6.3 uM 69U C22 H19 N3 O3 c1cc(ccc1C....
22 4KTL Kd = 15 uM 1CQ C21 H17 N3 O3 c1cc(ccc1c....
23 6RQ9 Kd = 10.4 uM KEQ C19 H20 N2 O4 COc1ccc(cc....
24 5OP9 Kd = 11.4 uM BZ6 C20 H18 N4 O COc1ccc(cc....
25 5O4K - 9KE C17 H21 Cl N4 O c1cc(ccc1C....
26 6RQ3 - OUC C20 H22 N2 O4 Cc1cc(cc(c....
27 6RQD Kd = 1.5 uM KEW C18 H17 Cl N2 O4 c1cc(ccc1C....
28 6RQ8 Kd = 0.28 uM KEH C18 H17 I N2 O4 c1cc(ccc1C....
29 6RQE - KEZ C20 H18 N2 O4 C#Cc1cc(cc....
30 4G44 Kd = 1.6 mM TZM C9 H10 N4 c1cc(cc(c1....
31 6RQ1 Kd = 39.8 uM KE5 C19 H20 N2 O4 Cc1cc(ccc1....
32 1N4G - PYZ C3 H3 I N2 c1c(cn[nH]....
33 4G1X Kd = 28 uM TQU C11 H9 N5 c1cc2c(cc1....
34 5EDT Kd = 3.4 mM 5MK C7 H7 Cl N2 O c1cc(c(cc1....
35 4G48 Kd = 500 uM PZB C15 H12 N2 O3 c1ccc(cc1)....
36 6RQ6 Kd = 12.8 uM R2H C18 H17 F N2 O4 c1cc(ccc1C....
37 6RQB Kd = 0.46 uM Q47 C18 H17 Br N2 O4 c1cc(ccc1C....
38 5IBE Kd = 0.74 uM 69M C21 H18 N4 O c1cc(cc(c1....
39 4G2G Kd ~ 2.8 mM TDH C14 H11 N3 O2 c1cc(ccc1c....
40 5WP2 Kd = 10.5 uM YTT C18 H18 N2 O4 c1cc(ccc1C....
41 4G47 Kd ~ 1.7 mM TZF C8 H7 N3 O c1cc(ccc1n....
42 2IJ7 Kd = 5 uM TPF C13 H12 F2 N6 O c1cc(c(cc1....
70% Homology Family (42)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 4G45 Kd = 400 uM MQN C10 H10 N2 Cc1ccc2cc(....
2 4IQ7 Kd = 1561 uM 1G9 C12 H14 N2 O3 C[C@H]1C(=....
3 5IBF Kd = 140 uM 69W C15 H14 N4 c1cc(cc(c1....
4 4IPW Kd = 14.5 uM 1G7 C18 H18 N2 O5 c1cc(ccc1C....
5 5IBD - GGJ C22 H20 N4 O COc1ccc(cc....
6 4G46 Kd ~ 3 mM TTY C9 H8 O4 c1c(c2c(o1....
7 4IPS Kd = 657 uM 1G4 C18 H20 N2 O3 c1cc(ccc1C....
8 5IBG Kd = 4.5 uM 69S C21 H18 N4 O2 c1cc(cc(c1....
9 6GEO Kd = 3.31 uM EW2 C21 H16 Cl N5 c1ccc(cc1)....
10 4KTJ Kd = 1.9 mM KTJ C9 H9 N3 O c1cc(ccc1c....
11 6GEQ Kd = 218.6 uM EW5 C21 H17 N5 O c1ccc(cc1)....
12 5OPA Kd = 4.16 uM A2W C19 H15 F N4 c1ccc(cc1)....
13 6RQ5 Kd = 15.1 uM KEB C20 H22 N2 O4 Cc1cc(cc(c....
14 6RQ0 Kd = 1.1 uM KE2 C19 H20 N2 O4 Cc1cc(ccc1....
15 4KTK Kd = 180 uM KTK C15 H13 N3 O3 c1cc(ccc1c....
16 5IBH Kd = 275 uM 69R C19 H17 N5 O2 c1cc(ccc1c....
17 5O4L - 9KB C17 H21 F N4 O c1cc(ccc1C....
18 4KTF Kd = 40 uM 1TM C15 H13 N3 O2 c1cc(ccc1c....
19 4IQ9 Kd = 39 uM 1GB C20 H19 N3 O3 c1ccc2c(c1....
20 4ICT Kd = 45.6 uM 1ED C18 H18 N2 O3 c1ccc(cc1)....
21 5IBI Kd = 6.3 uM 69U C22 H19 N3 O3 c1cc(ccc1C....
22 4KTL Kd = 15 uM 1CQ C21 H17 N3 O3 c1cc(ccc1c....
23 6RQ9 Kd = 10.4 uM KEQ C19 H20 N2 O4 COc1ccc(cc....
24 5OP9 Kd = 11.4 uM BZ6 C20 H18 N4 O COc1ccc(cc....
25 5O4K - 9KE C17 H21 Cl N4 O c1cc(ccc1C....
26 6RQ3 - OUC C20 H22 N2 O4 Cc1cc(cc(c....
27 6RQD Kd = 1.5 uM KEW C18 H17 Cl N2 O4 c1cc(ccc1C....
28 6RQ8 Kd = 0.28 uM KEH C18 H17 I N2 O4 c1cc(ccc1C....
29 6RQE - KEZ C20 H18 N2 O4 C#Cc1cc(cc....
30 4G44 Kd = 1.6 mM TZM C9 H10 N4 c1cc(cc(c1....
31 6RQ1 Kd = 39.8 uM KE5 C19 H20 N2 O4 Cc1cc(ccc1....
32 1N4G - PYZ C3 H3 I N2 c1c(cn[nH]....
33 4G1X Kd = 28 uM TQU C11 H9 N5 c1cc2c(cc1....
34 5EDT Kd = 3.4 mM 5MK C7 H7 Cl N2 O c1cc(c(cc1....
35 4G48 Kd = 500 uM PZB C15 H12 N2 O3 c1ccc(cc1)....
36 6RQ6 Kd = 12.8 uM R2H C18 H17 F N2 O4 c1cc(ccc1C....
37 6RQB Kd = 0.46 uM Q47 C18 H17 Br N2 O4 c1cc(ccc1C....
38 5IBE Kd = 0.74 uM 69M C21 H18 N4 O c1cc(cc(c1....
39 4G2G Kd ~ 2.8 mM TDH C14 H11 N3 O2 c1cc(ccc1c....
40 5WP2 Kd = 10.5 uM YTT C18 H18 N2 O4 c1cc(ccc1C....
41 4G47 Kd ~ 1.7 mM TZF C8 H7 N3 O c1cc(ccc1n....
42 2IJ7 Kd = 5 uM TPF C13 H12 F2 N6 O c1cc(c(cc1....
50% Homology Family (42)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 4G45 Kd = 400 uM MQN C10 H10 N2 Cc1ccc2cc(....
2 4IQ7 Kd = 1561 uM 1G9 C12 H14 N2 O3 C[C@H]1C(=....
3 5IBF Kd = 140 uM 69W C15 H14 N4 c1cc(cc(c1....
4 4IPW Kd = 14.5 uM 1G7 C18 H18 N2 O5 c1cc(ccc1C....
5 5IBD - GGJ C22 H20 N4 O COc1ccc(cc....
6 4G46 Kd ~ 3 mM TTY C9 H8 O4 c1c(c2c(o1....
7 4IPS Kd = 657 uM 1G4 C18 H20 N2 O3 c1cc(ccc1C....
8 5IBG Kd = 4.5 uM 69S C21 H18 N4 O2 c1cc(cc(c1....
9 6GEO Kd = 3.31 uM EW2 C21 H16 Cl N5 c1ccc(cc1)....
10 4KTJ Kd = 1.9 mM KTJ C9 H9 N3 O c1cc(ccc1c....
11 6GEQ Kd = 218.6 uM EW5 C21 H17 N5 O c1ccc(cc1)....
12 5OPA Kd = 4.16 uM A2W C19 H15 F N4 c1ccc(cc1)....
13 6RQ5 Kd = 15.1 uM KEB C20 H22 N2 O4 Cc1cc(cc(c....
14 6RQ0 Kd = 1.1 uM KE2 C19 H20 N2 O4 Cc1cc(ccc1....
15 4KTK Kd = 180 uM KTK C15 H13 N3 O3 c1cc(ccc1c....
16 5IBH Kd = 275 uM 69R C19 H17 N5 O2 c1cc(ccc1c....
17 5O4L - 9KB C17 H21 F N4 O c1cc(ccc1C....
18 4KTF Kd = 40 uM 1TM C15 H13 N3 O2 c1cc(ccc1c....
19 4IQ9 Kd = 39 uM 1GB C20 H19 N3 O3 c1ccc2c(c1....
20 4ICT Kd = 45.6 uM 1ED C18 H18 N2 O3 c1ccc(cc1)....
21 5IBI Kd = 6.3 uM 69U C22 H19 N3 O3 c1cc(ccc1C....
22 4KTL Kd = 15 uM 1CQ C21 H17 N3 O3 c1cc(ccc1c....
23 6RQ9 Kd = 10.4 uM KEQ C19 H20 N2 O4 COc1ccc(cc....
24 5OP9 Kd = 11.4 uM BZ6 C20 H18 N4 O COc1ccc(cc....
25 5O4K - 9KE C17 H21 Cl N4 O c1cc(ccc1C....
26 6RQ3 - OUC C20 H22 N2 O4 Cc1cc(cc(c....
27 6RQD Kd = 1.5 uM KEW C18 H17 Cl N2 O4 c1cc(ccc1C....
28 6RQ8 Kd = 0.28 uM KEH C18 H17 I N2 O4 c1cc(ccc1C....
29 6RQE - KEZ C20 H18 N2 O4 C#Cc1cc(cc....
30 4G44 Kd = 1.6 mM TZM C9 H10 N4 c1cc(cc(c1....
31 6RQ1 Kd = 39.8 uM KE5 C19 H20 N2 O4 Cc1cc(ccc1....
32 1N4G - PYZ C3 H3 I N2 c1c(cn[nH]....
33 4G1X Kd = 28 uM TQU C11 H9 N5 c1cc2c(cc1....
34 5EDT Kd = 3.4 mM 5MK C7 H7 Cl N2 O c1cc(c(cc1....
35 4G48 Kd = 500 uM PZB C15 H12 N2 O3 c1ccc(cc1)....
36 6RQ6 Kd = 12.8 uM R2H C18 H17 F N2 O4 c1cc(ccc1C....
37 6RQB Kd = 0.46 uM Q47 C18 H17 Br N2 O4 c1cc(ccc1C....
38 5IBE Kd = 0.74 uM 69M C21 H18 N4 O c1cc(cc(c1....
39 4G2G Kd ~ 2.8 mM TDH C14 H11 N3 O2 c1cc(ccc1c....
40 5WP2 Kd = 10.5 uM YTT C18 H18 N2 O4 c1cc(ccc1C....
41 4G47 Kd ~ 1.7 mM TZF C8 H7 N3 O c1cc(ccc1n....
42 2IJ7 Kd = 5 uM TPF C13 H12 F2 N6 O c1cc(c(cc1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TTY; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 TTY 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: TTY; Similar ligands found: 1028
No: Ligand Similarity coefficient
1 5RN 0.9762
2 ICO 0.9748
3 M2K 0.9721
4 5RO 0.9704
5 2KA 0.9644
6 5WY 0.9637
7 BEA 0.9636
8 NID 0.9626
9 PRF 0.9556
10 92K 0.9552
11 PYQ 0.9551
12 G3F 0.9551
13 7ZE 0.9543
14 Q6T 0.9537
15 8S0 0.9534
16 7HQ 0.9518
17 7NI 0.9516
18 I3A 0.9507
19 BGC 0.9506
20 8HC 0.9504
21 INE 0.9496
22 GLC 0.9492
23 42C 0.9489
24 QPR 0.9488
25 4TU 0.9488
26 GCS 0.9486
27 B57 0.9485
28 AKH 0.9471
29 0P6 0.9467
30 BDP 0.9466
31 2ZQ 0.9463
32 DNF 0.9461
33 5WX 0.9458
34 PFB 0.9456
35 N8Y 0.9454
36 EVA 0.9451
37 92P 0.9449
38 9KT 0.9447
39 M4E 0.9444
40 7VS 0.9443
41 PQ0 0.9439
42 3HA 0.9437
43 15L 0.9436
44 4HC 0.9434
45 M0W 0.9430
46 NOJ 0.9430
47 LI6 0.9429
48 8CM 0.9427
49 GCB 0.9426
50 2EC 0.9422
51 GAL 0.9422
52 LZM 0.9421
53 M0Q 0.9417
54 3IT 0.9415
55 1F1 0.9413
56 HNQ 0.9406
57 C2Y 0.9403
58 EA1 0.9401
59 42A 0.9401
60 4ME 0.9401
61 DBJ 0.9400
62 5NE 0.9400
63 209 0.9393
64 GRE 0.9393
65 CWS 0.9391
66 J9W 0.9390
67 BK9 0.9387
68 RXA 0.9384
69 680 0.9380
70 GOG 0.9380
71 TEP 0.9379
72 DBH 0.9378
73 M1E 0.9377
74 KUF 0.9376
75 0FK 0.9375
76 VK3 0.9372
77 3F0 0.9370
78 GCU 0.9367
79 NQ 0.9366
80 2ZM 0.9365
81 HLZ 0.9364
82 FDB 0.9363
83 5QX 0.9363
84 CFF 0.9363
85 G5V 0.9362
86 7W1 0.9360
87 7B3 0.9355
88 6M1 0.9355
89 AJV 0.9354
90 PXL 0.9353
91 AZ9 0.9352
92 3MG 0.9352
93 HQD 0.9351
94 TTL 0.9351
95 4AA 0.9349
96 8XQ 0.9347
97 5NS 0.9346
98 0HO 0.9346
99 M1H 0.9346
100 H33 0.9342
101 6F0 0.9341
102 5CU 0.9339
103 2LY 0.9339
104 FBT 0.9338
105 FDR 0.9333
106 YSO 0.9332
107 03V 0.9331
108 15N 0.9330
109 M1Q 0.9328
110 PEY 0.9327
111 5OB 0.9327
112 3GQ 0.9324
113 0HN 0.9323
114 ZVO 0.9323
115 Z5P 0.9323
116 3A9 0.9321
117 APZ 0.9320
118 SHG 0.9318
119 IV2 0.9317
120 DFB 0.9317
121 12Q 0.9315
122 HQT 0.9315
123 NVU 0.9315
124 3DM 0.9314
125 3M0 0.9313
126 DOB 0.9312
127 E7Z 0.9309
128 5XC 0.9307
129 COU 0.9307
130 0N7 0.9306
131 ABI 0.9305
132 2HU 0.9304
133 KYA 0.9303
134 J9Q 0.9303
135 FE DB1 0.9301
136 4KL 0.9298
137 AZ8 0.9297
138 OCH 0.9296
139 4FS 0.9296
140 9FL 0.9296
141 JBK 0.9295
142 MEW 0.9295
143 HXX 0.9294
144 JB5 0.9293
145 6NT 0.9292
146 3NY 0.9292
147 PE0 0.9291
148 E1T 0.9288
149 A7W 0.9287
150 XHP 0.9285
151 ZYR 0.9285
152 NDM 0.9284
153 2AQ 0.9283
154 ES5 0.9283
155 5NU 0.9282
156 SYA 0.9282
157 B62 0.9282
158 BHA 0.9281
159 JUG 0.9281
160 8GK 0.9279
161 D3M 0.9279
162 KJH 0.9278
163 CLZ 0.9278
164 FA0 0.9277
165 BZ3 0.9274
166 39A 0.9271
167 67N 0.9270
168 BNT 0.9270
169 0JD 0.9267
170 44W 0.9264
171 PDC 0.9262
172 JTH 0.9262
173 LGC 0.9261
174 DIN 0.9260
175 6NI 0.9260
176 MHK 0.9260
177 4M0 0.9260
178 DPZ 0.9256
179 5NI 0.9256
180 23J 0.9254
181 9ZE 0.9252
182 VNL 0.9252
183 LZ2 0.9251
184 6M4 0.9251
185 KJY 0.9249
186 PQK 0.9248
187 37T 0.9243
188 AQO 0.9241
189 Q24 0.9241
190 XQG 0.9241
191 2FQ 0.9240
192 OTW 0.9240
193 FOT 0.9239
194 3WA 0.9239
195 4Z4 0.9237
196 B60 0.9237
197 LSA 0.9235
198 KGK 0.9234
199 6VD 0.9234
200 JAW 0.9230
201 H42 0.9230
202 5WU 0.9230
203 9CA 0.9229
204 44V 0.9228
205 PFL 0.9225
206 173 0.9224
207 OA3 0.9223
208 DQU 0.9222
209 3FH 0.9221
210 IAC 0.9220
211 86J 0.9214
212 ODO 0.9214
213 97T 0.9214
214 9MG 0.9214
215 SKA 0.9213
216 32X 0.9211
217 HHA 0.9211
218 DHB 0.9210
219 DHK 0.9210
220 DNA 0.9209
221 M1A 0.9208
222 5RG 0.9208
223 1IT 0.9204
224 P9P 0.9202
225 GDE 0.9198
226 G1O 0.9198
227 6ME 0.9195
228 091 0.9195
229 M5K 0.9194
230 MRW 0.9192
231 N2I 0.9191
232 XAN 0.9191
233 HJP 0.9191
234 9DG 0.9191
235 NTM 0.9190
236 KFH 0.9189
237 DRL 0.9188
238 UAN 0.9187
239 URC 0.9187
240 HKD 0.9186
241 PH2 0.9185
242 2ZV 0.9184
243 EQT 0.9183
244 QX4 0.9182
245 27B 0.9182
246 AJ2 0.9181
247 O2A 0.9180
248 NNO 0.9180
249 FHB 0.9179
250 XQ0 0.9177
251 GJP 0.9172
252 4RU 0.9171
253 4NC 0.9167
254 XX2 0.9167
255 2D0 0.9167
256 4A3 0.9166
257 93K 0.9166
258 0F9 0.9166
259 GTQ 0.9165
260 0LH 0.9165
261 L7T 0.9164
262 8ZE 0.9162
263 JB8 0.9160
264 RM1 0.9160
265 NTZ 0.9160
266 SJ5 0.9158
267 1HN 0.9157
268 INO 0.9156
269 GUN 0.9155
270 SAL 0.9154
271 ES0 0.9154
272 IPB 0.9154
273 5Q0 0.9153
274 1SQ 0.9152
275 2HO 0.9152
276 12B 0.9151
277 PXM 0.9151
278 BTY 0.9150
279 ES1 0.9149
280 K5W 0.9148
281 23A 0.9147
282 4JQ 0.9147
283 JDN 0.9147
284 06B 0.9147
285 ISE 0.9147
286 SE2 0.9146
287 1LQ 0.9146
288 DHQ 0.9146
289 Q88 0.9145
290 MQB 0.9145
291 BE2 0.9144
292 M6Z 0.9144
293 5SG 0.9144
294 3Z8 0.9143
295 ADZ 0.9142
296 FLV 0.9140
297 G3E 0.9138
298 3U4 0.9138
299 MYJ 0.9136
300 HHR 0.9136
301 2H5 0.9136
302 D48 0.9135
303 LKA 0.9135
304 SYV 0.9134
305 4YS 0.9132
306 CWM 0.9132
307 UNC 0.9131
308 CN0 0.9131
309 SHA 0.9130
310 IJZ 0.9130
311 MQN 0.9128
312 M6N 0.9127
313 N2Z 0.9126
314 A29 0.9126
315 MS9 0.9126
316 G2F 0.9126
317 KDV 0.9125
318 JLZ 0.9125
319 0FN 0.9125
320 4YO 0.9124
321 B53 0.9124
322 0W8 0.9124
323 5IQ 0.9123
324 HTP 0.9123
325 IBM 0.9123
326 HQY 0.9122
327 DNC 0.9122
328 2FY 0.9122
329 KT7 0.9122
330 MVN 0.9122
331 PD2 0.9122
332 JPZ 0.9121
333 MAQ 0.9120
334 9TW 0.9119
335 MO8 0.9119
336 F05 0.9119
337 5QY 0.9119
338 5WV 0.9117
339 KIA 0.9116
340 KIB 0.9116
341 3PF 0.9116
342 TOF 0.9115
343 2HQ 0.9115
344 UEG 0.9115
345 F1A 0.9114
346 3HM 0.9112
347 J5I 0.9111
348 24B 0.9111
349 2K8 0.9108
350 KJU 0.9107
351 ADA 0.9107
352 R8V 0.9105
353 ES6 0.9100
354 F0J 0.9098
355 N5J 0.9098
356 54G 0.9098
357 XAZ 0.9097
358 3ID 0.9096
359 IFM 0.9096
360 ASO 0.9095
361 AZA 0.9094
362 GTR 0.9093
363 7B4 0.9089
364 5M0 0.9089
365 MR1 0.9089
366 75K 0.9088
367 JG8 0.9086
368 CHB 0.9085
369 0FO 0.9085
370 3DO 0.9085
371 IFL 0.9084
372 AEZ 0.9084
373 M5N 0.9081
374 DIE 0.9080
375 6AP 0.9078
376 V55 0.9078
377 UFO 0.9077
378 FYU 0.9077
379 AZF 0.9076
380 ISN 0.9075
381 YH7 0.9075
382 F31 0.9075
383 F9Y 0.9073
384 JBQ 0.9073
385 CTL 0.9072
386 LDR 0.9071
387 TSS 0.9071
388 1U6 0.9071
389 X8D 0.9070
390 7W4 0.9069
391 0TU 0.9068
392 9FE 0.9067
393 4SV 0.9065
394 5JQ 0.9063
395 0RW 0.9062
396 BCU 0.9062
397 7VJ 0.9062
398 SLS 0.9062
399 BZX 0.9061
400 GIM 0.9061
401 6BL 0.9060
402 ES7 0.9058
403 SRO 0.9056
404 INS 0.9056
405 IOS 0.9055
406 CTS 0.9053
407 APS 0.9052
408 PHH 0.9051
409 JBE 0.9050
410 MUA 0.9050
411 VNJ 0.9050
412 ET2 0.9050
413 NOY 0.9050
414 C2U 0.9050
415 A2F 0.9048
416 9TZ 0.9048
417 NIZ 0.9048
418 25W 0.9048
419 IGA 0.9046
420 6RQ 0.9046
421 6AI 0.9046
422 SWA 0.9045
423 6M9 0.9044
424 4MU 0.9042
425 HZQ 0.9042
426 PRZ 0.9042
427 SKM 0.9041
428 TBS 0.9039
429 B55 0.9036
430 226 0.9036
431 141 0.9035
432 14O 0.9034
433 82I 0.9034
434 H5B 0.9033
435 HA7 0.9033
436 8WT 0.9032
437 495 0.9032
438 8G0 0.9032
439 LT2 0.9030
440 X09 0.9030
441 NDH 0.9030
442 QBK 0.9029
443 OXZ 0.9029
444 5H1 0.9028
445 N3W 0.9027
446 8TX 0.9027
447 DEE 0.9027
448 1P7 0.9026
449 1X7 0.9026
450 54X 0.9026
451 FBB 0.9025
452 6CS 0.9024
453 DMD 0.9023
454 HA5 0.9022
455 SVN 0.9021
456 EJZ 0.9021
457 JU2 0.9020
458 QSB 0.9019
459 G6D 0.9019
460 XYP 0.9019
461 BZJ 0.9018
462 WOO 0.9018
463 F81 0.9017
464 24W 0.9016
465 8WO 0.9015
466 7WR 0.9014
467 XXP 0.9014
468 KKN 0.9013
469 F60 0.9013
470 MT0 0.9012
471 GLA 0.9011
472 DQN 0.9011
473 1XM 0.9010
474 8H8 0.9010
475 RPQ 0.9010
476 DBX 0.9009
477 SOR 0.9009
478 2CL 0.9009
479 30G 0.9008
480 JAE 0.9007
481 AZG 0.9007
482 5MB 0.9006
483 CLW 0.9006
484 SOE 0.9006
485 AHR 0.9006
486 5MI 0.9005
487 6GU 0.9004
488 3RK 0.9004
489 9EW 0.9003
490 ARP 0.9003
491 HH5 0.9003
492 290 0.9002
493 GZL 0.9001
494 5GU 0.9000
495 HLR 0.8999
496 ABV 0.8999
497 TSR 0.8999
498 XIY 0.8997
499 MWP 0.8997
500 2BG 0.8996
501 28N 0.8996
502 GV9 0.8995
503 AA 0.8995
504 K2T 0.8994
505 GCW 0.8994
506 2SX 0.8994
507 5MK 0.8993
508 FP1 0.8993
509 ES2 0.8992
510 K17 0.8992
511 GCV 0.8991
512 3R6 0.8990
513 HHS 0.8989
514 94B 0.8988
515 4AN 0.8988
516 9AP 0.8987
517 PA1 0.8987
518 FBG 0.8985
519 149 0.8985
520 MZB 0.8984
521 KBB 0.8982
522 KOJ 0.8982
523 QSH 0.8981
524 2K4 0.8980
525 1NP 0.8980
526 1QP 0.8980
527 HMH 0.8980
528 LAO 0.8978
529 BZ2 0.8978
530 GYE 0.8978
531 3MB 0.8977
532 4JT 0.8977
533 ONR 0.8977
534 P3K 0.8977
535 9R5 0.8977
536 R9Y 0.8976
537 BMA 0.8976
538 IFP 0.8975
539 FBV 0.8974
540 36R 0.8972
541 JKZ 0.8971
542 9PY 0.8971
543 ANF 0.8970
544 OVM 0.8969
545 L99 0.8969
546 1XN 0.8968
547 4P5 0.8968
548 D07 0.8968
549 94W 0.8967
550 F12 0.8967
551 ESP 0.8967
552 2FG 0.8966
553 M5H 0.8966
554 NAG 0.8966
555 270 0.8965
556 AX7 0.8965
557 CWJ 0.8965
558 948 0.8964
559 NLA 0.8964
560 HMU 0.8963
561 X05 0.8963
562 THA 0.8963
563 LXC 0.8963
564 XM0 0.8962
565 2MI 0.8961
566 SX1 0.8961
567 DIU 0.8961
568 MT5 0.8960
569 ES9 0.8959
570 QUZ 0.8959
571 NPY 0.8959
572 ISZ 0.8958
573 2O6 0.8958
574 Q7A 0.8956
575 MAN 0.8956
576 11S 0.8954
577 FGZ 0.8953
578 261 0.8953
579 IHB 0.8952
580 B56 0.8952
581 BOA 0.8952
582 TH7 0.8951
583 MVL 0.8951
584 1KP 0.8950
585 9LI 0.8948
586 K32 0.8947
587 K97 0.8947
588 3HB 0.8946
589 JXZ 0.8946
590 PX7 0.8946
591 MT8 0.8945
592 8XL 0.8945
593 52C 0.8945
594 5JL 0.8943
595 5B1 0.8943
596 8W9 0.8941
597 FB1 0.8940
598 TGX 0.8939
599 1P8 0.8938
600 4XH 0.8937
601 1DW 0.8937
602 Q71 0.8936
603 APG 0.8935
604 GSY 0.8935
605 NDG 0.8935
606 7ME 0.8934
607 X0V 0.8934
608 ZZ8 0.8933
609 HH8 0.8932
610 VGD 0.8932
611 PBA 0.8932
612 LNR 0.8931
613 OMD 0.8929
614 DX4 0.8927
615 CFI 0.8926
616 GXY 0.8925
617 VXX 0.8925
618 8MO 0.8925
619 GIO 0.8924
620 IP0 0.8924
621 P92 0.8922
622 67X 0.8921
623 1LM 0.8921
624 XQK 0.8920
625 GAB 0.8918
626 NPO 0.8918
627 0CU 0.8917
628 JKE 0.8916
629 RMN 0.8916
630 AIN 0.8915
631 MAJ 0.8912
632 KJ5 0.8912
633 537 0.8910
634 4XV 0.8910
635 8IG 0.8909
636 12T 0.8908
637 DRG 0.8908
638 1M2 0.8907
639 ASC 0.8906
640 GIV 0.8906
641 LCN 0.8905
642 PHB 0.8903
643 X6X 0.8903
644 Q02 0.8902
645 5VM 0.8900
646 EUG 0.8900
647 4M4 0.8900
648 GLT 0.8898
649 2AK 0.8898
650 O72 0.8898
651 GAF 0.8898
652 4XS 0.8898
653 6KT 0.8896
654 TVP 0.8894
655 KBG 0.8894
656 ALL 0.8894
657 GNM 0.8893
658 4HM 0.8893
659 4XR 0.8892
660 15E 0.8891
661 CFP 0.8890
662 CH9 0.8889
663 2D3 0.8889
664 C9E 0.8888
665 4SX 0.8888
666 E1K 0.8888
667 EXO 0.8888
668 H4N 0.8887
669 1WD 0.8887
670 2CK 0.8886
671 3NT 0.8884
672 EYK 0.8883
673 PAB 0.8883
674 FK1 0.8882
675 PJW 0.8881
676 61M 0.8880
677 329 0.8880
678 2AL 0.8879
679 GCO 0.8879
680 JBH 0.8877
681 ZZZ 0.8876
682 OW4 0.8876
683 HFB 0.8875
684 BSP 0.8873
685 ESI 0.8873
686 RHU 0.8873
687 HPA 0.8872
688 R9S 0.8872
689 8OZ 0.8871
690 PHU 0.8867
691 DMJ 0.8867
692 E5X 0.8867
693 AN3 0.8865
694 FBM 0.8865
695 5HN 0.8865
696 GLF 0.8865
697 HDH 0.8864
698 K22 0.8864
699 TIY 0.8864
700 PCI 0.8864
701 53C 0.8863
702 ZB1 0.8863
703 39O 0.8862
704 3OC 0.8862
705 TYL 0.8861
706 GTZ 0.8861
707 GXL 0.8860
708 KTW 0.8856
709 PHT 0.8856
710 K6X 0.8855
711 KLK 0.8854
712 GOX 0.8854
713 2A9 0.8852
714 ADE 0.8852
715 BCF 0.8851
716 7WV 0.8850
717 IBF 0.8848
718 ADK 0.8847
719 JA8 0.8846
720 EOL 0.8846
721 MNM 0.8846
722 1GN 0.8844
723 UFV 0.8844
724 AP4 0.8843
725 TQU 0.8843
726 717 0.8843
727 3AB 0.8841
728 QAS 0.8841
729 LDP 0.8841
730 M4T 0.8840
731 MB1 0.8840
732 BBF 0.8840
733 GT0 0.8840
734 QWW 0.8839
735 A65 0.8839
736 SRT 0.8839
737 3J8 0.8838
738 FH2 0.8836
739 TT4 0.8835
740 G4D 0.8835
741 MBG 0.8835
742 DQA 0.8834
743 GJS 0.8833
744 4WL 0.8833
745 1A7 0.8832
746 HLD 0.8832
747 OVV 0.8831
748 8GC 0.8831
749 EKZ 0.8831
750 6R8 0.8830
751 RD4 0.8830
752 WCE 0.8830
753 V1T 0.8830
754 VOH 0.8830
755 1AL 0.8830
756 I6G 0.8830
757 QWN 0.8829
758 6MP 0.8828
759 6FZ 0.8826
760 L46 0.8823
761 BPU 0.8822
762 ORO 0.8822
763 JXN 0.8822
764 GM7 0.8821
765 18N 0.8820
766 G12 0.8818
767 SXS 0.8817
768 5VL 0.8817
769 AMG 0.8817
770 DC5 0.8816
771 YQA 0.8813
772 Q77 0.8812
773 QX2 0.8812
774 505 0.8811
775 NSP 0.8810
776 ICB 0.8809
777 3SK 0.8809
778 0GZ 0.8806
779 BP1 0.8804
780 AJY 0.8802
781 2MN 0.8802
782 GOO 0.8802
783 BCP 0.8801
784 OXC 0.8801
785 069 0.8799
786 CKA 0.8799
787 BPY 0.8797
788 1L5 0.8796
789 4FH 0.8795
790 1Y6 0.8795
791 8NX 0.8794
792 9DA 0.8794
793 HBD 0.8794
794 HQJ 0.8794
795 9HX 0.8793
796 TIU 0.8792
797 DOR 0.8792
798 GDL 0.8792
799 D1X 0.8790
800 7CT 0.8790
801 9RW 0.8789
802 7MU 0.8787
803 BSX 0.8786
804 FDK 0.8786
805 KTA 0.8786
806 20J 0.8785
807 4ZA 0.8784
808 GZ8 0.8783
809 BTE 0.8782
810 2LP 0.8780
811 68A 0.8780
812 8VN 0.8779
813 BHO 0.8779
814 7HP 0.8779
815 SBK 0.8778
816 R8S 0.8778
817 ZXD 0.8777
818 5TY 0.8776
819 ANN 0.8776
820 QAT 0.8775
821 B5D 0.8775
822 XM5 0.8775
823 ZZT 0.8774
824 3MA 0.8774
825 XX3 0.8773
826 2CZ 0.8773
827 8NY 0.8771
828 1XA 0.8770
829 10L 0.8769
830 HX3 0.8769
831 NGA 0.8769
832 PNZ 0.8768
833 LT8 0.8768
834 2GS 0.8768
835 GTL 0.8767
836 ESX 0.8764
837 QIC 0.8764
838 BBK 0.8763
839 MMA 0.8762
840 NCD 0.8762
841 FAN 0.8761
842 826 0.8761
843 TWO 0.8759
844 HIS 0.8759
845 QXW 0.8758
846 SMN 0.8758
847 UQ 0.8755
848 ROI 0.8755
849 JXW 0.8754
850 PZI 0.8754
851 LYL 0.8753
852 JIF 0.8751
853 4CS 0.8751
854 FA3 0.8749
855 3BZ 0.8748
856 KIF 0.8746
857 AFR 0.8745
858 95Z 0.8745
859 PBZ 0.8743
860 KYD 0.8743
861 JFD 0.8743
862 6QF 0.8743
863 3XX 0.8743
864 AY4 0.8740
865 EXD 0.8739
866 4MA 0.8737
867 JP2 0.8736
868 60Q 0.8736
869 NMJ 0.8735
870 BA5 0.8735
871 L3Q 0.8734
872 RAT 0.8733
873 W81 0.8733
874 SR4 0.8731
875 XXR 0.8731
876 SW7 0.8730
877 FHN 0.8730
878 DX3 0.8730
879 NK 0.8729
880 0R0 0.8728
881 SWD 0.8728
882 SKF 0.8726
883 F5B 0.8726
884 2HC 0.8724
885 HIO 0.8724
886 3RI 0.8722
887 S24 0.8721
888 7WA 0.8721
889 428 0.8721
890 OTD 0.8720
891 7FF 0.8719
892 7D2 0.8719
893 FA1 0.8719
894 DHR 0.8718
895 BRT 0.8718
896 KP6 0.8718
897 GF4 0.8717
898 OVP 0.8716
899 MIG 0.8716
900 EN1 0.8716
901 F3B 0.8713
902 1WC 0.8710
903 4ZC 0.8709
904 L5V 0.8709
905 DHS 0.8707
906 Z82 0.8707
907 JR2 0.8703
908 BQ2 0.8703
909 M3H 0.8701
910 DGJ 0.8701
911 45L 0.8700
912 A13 0.8699
913 JZ3 0.8697
914 MSR 0.8695
915 AC6 0.8694
916 ZWZ 0.8694
917 293 0.8693
918 X0U 0.8693
919 YIO 0.8691
920 DPT 0.8689
921 FUL 0.8689
922 TLA 0.8688
923 HBA 0.8688
924 JF1 0.8688
925 XFE 0.8687
926 UNJ 0.8687
927 ZME 0.8685
928 64C 0.8684
929 2F6 0.8683
930 HBO 0.8682
931 6XI 0.8681
932 M3S 0.8681
933 S0E 0.8680
934 6DP 0.8680
935 J9T 0.8680
936 MSN 0.8679
937 K8X 0.8678
938 0XT 0.8678
939 2JK 0.8677
940 BDF 0.8677
941 36E 0.8676
942 RNS 0.8673
943 HHT 0.8672
944 174 0.8671
945 34D 0.8670
946 CPZ 0.8670
947 H62 0.8670
948 39U 0.8669
949 7I2 0.8665
950 ZON 0.8661
951 PM6 0.8660
952 9UL 0.8660
953 4I8 0.8657
954 FK8 0.8655
955 N1E 0.8654
956 E7S 0.8652
957 BPN 0.8652
958 GLO 0.8652
959 ES4 0.8650
960 KLW 0.8650
961 QMS 0.8650
962 EMZ 0.8648
963 XXG 0.8646
964 H6B 0.8646
965 0W1 0.8645
966 IF7 0.8643
967 3Z7 0.8641
968 7MX 0.8640
969 J6W 0.8636
970 OHP 0.8633
971 WBU 0.8630
972 BEZ 0.8630
973 AW5 0.8629
974 6PC 0.8627
975 51R 0.8622
976 URF 0.8619
977 TSU 0.8616
978 GO2 0.8614
979 5OF 0.8612
980 FCR 0.8611
981 1WG 0.8610
982 FSW 0.8610
983 6J9 0.8604
984 S3B 0.8604
985 BEN 0.8603
986 PRY 0.8600
987 RAM 0.8600
988 7MH 0.8599
989 R20 0.8596
990 NCT 0.8590
991 4A5 0.8590
992 4HO 0.8589
993 3BU 0.8589
994 PBC 0.8589
995 R8A 0.8588
996 FHC 0.8586
997 F9P 0.8584
998 7MK 0.8584
999 P9E 0.8583
1000 P72 0.8582
1001 NIO 0.8578
1002 CBF 0.8578
1003 YRL 0.8576
1004 K37 0.8575
1005 K34 0.8575
1006 BAM 0.8575
1007 AEF 0.8570
1008 NCA 0.8570
1009 4VY 0.8569
1010 PZA 0.8566
1011 NBZ 0.8564
1012 1SS 0.8558
1013 UNU 0.8552
1014 2CQ 0.8550
1015 XDE 0.8550
1016 BNF 0.8549
1017 IWT 0.8547
1018 FBW 0.8544
1019 LQ2 0.8543
1020 286 0.8540
1021 4BY 0.8536
1022 L1Q 0.8536
1023 PIM 0.8525
1024 LT3 0.8525
1025 F69 0.8522
1026 PYG 0.8521
1027 3QV 0.8520
1028 GYP 0.8516
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6RQ8; Ligand: KEH; 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: 6rq8.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
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