Receptor
PDB id Resolution Class Description Source Keywords
4KTJ 1.35 Å EC: 1.14.-.- CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS CYP121 IN CO 4-(3-AMINO-1H-PYRAZOL-4-YL)PHENOL MYCOBACTERIUM TUBERCULOSIS P450 OXIDOREDUCTASE CYY C-C BOND FORMATION ASSUMED CYTOS
Ref.: OVERCOMING THE LIMITATIONS OF FRAGMENT MERGING: RES STRAINED MERGED FRAGMENT SERIES TARGETING MYCOBACTE TUBERCULOSIS CYP121. CHEMMEDCHEM V. 8 1451 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
KTJ A:404;
 Valid;
 none;
 Kd = 1.9 mM
175.187 C9 H9 N3 O c1cc(...
HEM A:401;
 Part of Protein;
 none;
 submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
SO4 A:402;
A:403;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
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: KTJ; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 KTJ 1 1
2 583 0.488889 0.738095
Similar Ligands (3D)
Ligand no: 1; Ligand: KTJ; Similar ligands found: 848
No: Ligand Similarity coefficient
1 HNH 0.9862
2 1Z6 0.9861
3 HNK 0.9812
4 HNL 0.9789
5 TZF 0.9783
6 MSR 0.9779
7 SQ7 0.9754
8 SNU 0.9743
9 BNL 0.9736
10 SQ4 0.9723
11 CPZ 0.9701
12 50C 0.9693
13 36Y 0.9657
14 GVG 0.9651
15 NCT 0.9634
16 PH3 0.9607
17 PIM 0.9606
18 JF6 0.9602
19 0BP 0.9599
20 C1M 0.9589
21 RUY 0.9533
22 A5E 0.9524
23 1WC 0.9520
24 HX4 0.9510
25 F4K 0.9504
26 HHH 0.9497
27 CH9 0.9491
28 L13 0.9487
29 AOT 0.9485
30 4JQ 0.9469
31 HL4 0.9460
32 92G 0.9442
33 A9P 0.9440
34 X0U 0.9424
35 XDK 0.9420
36 B3U 0.9415
37 46P 0.9404
38 PIY 0.9398
39 1IT 0.9390
40 BZE 0.9384
41 K80 0.9384
42 TYL 0.9382
43 AN3 0.9376
44 9CA 0.9375
45 R2P 0.9370
46 9FL 0.9369
47 1XA 0.9367
48 JRB 0.9361
49 HIC 0.9360
50 7VP 0.9359
51 L22 0.9358
52 TGX 0.9355
53 97T 0.9346
54 J9N 0.9344
55 N8Y 0.9344
56 JG8 0.9334
57 0TU 0.9334
58 BP7 0.9334
59 344 0.9333
60 IWT 0.9329
61 HDH 0.9328
62 FHC 0.9326
63 2QC 0.9326
64 MPK 0.9324
65 A29 0.9320
66 X48 0.9319
67 J6W 0.9318
68 4V2 0.9315
69 6QF 0.9311
70 F4E 0.9311
71 MQN 0.9311
72 GVY 0.9309
73 52C 0.9303
74 PPY 0.9303
75 EN1 0.9300
76 BPY 0.9294
77 ESP 0.9291
78 15E 0.9288
79 BZ2 0.9284
80 FBB 0.9283
81 4LW 0.9282
82 94W 0.9281
83 6TZ 0.9278
84 ICB 0.9274
85 ESX 0.9272
86 ZYR 0.9271
87 4LV 0.9269
88 OTR 0.9264
89 M45 0.9261
90 4YO 0.9260
91 K34 0.9260
92 SWX 0.9259
93 HQJ 0.9259
94 N2I 0.9255
95 3VS 0.9248
96 173 0.9246
97 JAH 0.9246
98 6NT 0.9242
99 5NI 0.9241
100 ANC 0.9241
101 BRH 0.9240
102 2HU 0.9240
103 2ZM 0.9240
104 MPV 0.9238
105 ANN 0.9238
106 TT4 0.9235
107 6KT 0.9234
108 5LA 0.9231
109 6NI 0.9230
110 BZJ 0.9230
111 N2Z 0.9230
112 4P5 0.9230
113 FZM 0.9229
114 3A9 0.9229
115 K2T 0.9229
116 1A7 0.9225
117 SHI 0.9225
118 CK2 0.9223
119 1F1 0.9221
120 4HB 0.9219
121 A9O 0.9216
122 TIH 0.9215
123 K97 0.9214
124 W29 0.9212
125 1M2 0.9212
126 80G 0.9212
127 TYR 0.9212
128 4BY 0.9211
129 ABI 0.9209
130 CWJ 0.9209
131 R20 0.9209
132 I3E 0.9206
133 4BL 0.9205
134 ENO 0.9204
135 E1T 0.9204
136 6RQ 0.9204
137 0JD 0.9201
138 2F6 0.9200
139 L5V 0.9198
140 HIS 0.9198
141 4ZA 0.9195
142 8OZ 0.9193
143 3QV 0.9191
144 4WL 0.9191
145 795 0.9189
146 PHB 0.9189
147 0NX 0.9188
148 0HN 0.9188
149 E3X 0.9187
150 9R5 0.9185
151 8W9 0.9185
152 FMQ 0.9184
153 RA7 0.9183
154 B2Y 0.9182
155 DTY 0.9182
156 BZ3 0.9180
157 6FB 0.9179
158 363 0.9178
159 DE5 0.9176
160 CFI 0.9173
161 DRG 0.9171
162 8ZE 0.9170
163 C53 0.9170
164 PJW 0.9170
165 PNZ 0.9164
166 KDV 0.9164
167 12T 0.9164
168 JDN 0.9162
169 3ZB 0.9160
170 OQC 0.9160
171 PHE 0.9158
172 54E 0.9157
173 3NY 0.9156
174 1HN 0.9156
175 ESI 0.9153
176 5OB 0.9152
177 SLS 0.9152
178 KTW 0.9149
179 0HO 0.9148
180 HA5 0.9148
181 1L5 0.9147
182 4BF 0.9144
183 M3E 0.9143
184 PH2 0.9142
185 1Y6 0.9142
186 D48 0.9141
187 2HQ 0.9139
188 3PF 0.9138
189 M6H 0.9137
190 0FK 0.9136
191 BGU 0.9135
192 GJP 0.9135
193 4RU 0.9134
194 S60 0.9133
195 SE2 0.9131
196 3R4 0.9131
197 ET2 0.9131
198 NPO 0.9130
199 8NX 0.9130
200 G3E 0.9130
201 8HC 0.9128
202 A4T 0.9126
203 HBO 0.9125
204 HFA 0.9124
205 J5I 0.9124
206 2BG 0.9124
207 2LY 0.9123
208 MS9 0.9122
209 FDR 0.9122
210 9FH 0.9122
211 KDG 0.9121
212 J9Q 0.9117
213 UNJ 0.9117
214 PAB 0.9115
215 4MA 0.9113
216 1A5 0.9112
217 HHI 0.9112
218 C82 0.9111
219 DCZ 0.9110
220 J9T 0.9109
221 86J 0.9108
222 K7M 0.9108
223 LNR 0.9107
224 92P 0.9105
225 NFA 0.9103
226 GO2 0.9102
227 DPN 0.9101
228 BEA 0.9101
229 HJH 0.9100
230 HC4 0.9100
231 QBS 0.9098
232 0W1 0.9098
233 JAW 0.9098
234 AMQ 0.9094
235 5XC 0.9093
236 PEY 0.9091
237 36E 0.9091
238 6HO 0.9091
239 Z82 0.9090
240 X11 0.9087
241 B1J 0.9087
242 XCG 0.9085
243 EYV 0.9084
244 A7K 0.9082
245 5TY 0.9082
246 DUR 0.9082
247 EXD 0.9081
248 68A 0.9081
249 6SD 0.9080
250 KUF 0.9078
251 AEG 0.9077
252 M3H 0.9077
253 6FZ 0.9077
254 4XF 0.9076
255 N3W 0.9076
256 BPU 0.9074
257 JB5 0.9072
258 49O 0.9072
259 PHU 0.9071
260 56D 0.9070
261 JB8 0.9070
262 61M 0.9070
263 P72 0.9069
264 DDU 0.9067
265 A5H 0.9061
266 QX4 0.9060
267 5QY 0.9059
268 8XL 0.9056
269 V1T 0.9056
270 HF2 0.9056
271 4PN 0.9054
272 XHP 0.9054
273 2BX 0.9053
274 2FY 0.9053
275 DIN 0.9053
276 PAC 0.9053
277 2FQ 0.9053
278 3VQ 0.9052
279 CK1 0.9052
280 AA 0.9052
281 92K 0.9052
282 SYV 0.9051
283 2HC 0.9051
284 4TU 0.9048
285 ES5 0.9048
286 03V 0.9047
287 C2Y 0.9047
288 SV4 0.9047
289 9ZE 0.9046
290 ODO 0.9044
291 TZM 0.9043
292 8WO 0.9042
293 S2P 0.9041
294 OTW 0.9040
295 ISZ 0.9039
296 FTV 0.9037
297 N91 0.9035
298 ANF 0.9035
299 9FE 0.9035
300 PFF 0.9034
301 E7S 0.9032
302 4FS 0.9032
303 15N 0.9031
304 G14 0.9031
305 DQU 0.9026
306 OGA 0.9025
307 AC6 0.9025
308 S0E 0.9021
309 4NB 0.9021
310 ODK 0.9020
311 A7W 0.9018
312 LJ3 0.9018
313 0FO 0.9017
314 MVN 0.9016
315 RNO 0.9016
316 3C4 0.9014
317 E0O 0.9013
318 ONR 0.9013
319 FF2 0.9013
320 OCH 0.9011
321 GZ2 0.9010
322 B62 0.9010
323 SW7 0.9009
324 3VX 0.9006
325 0F9 0.9005
326 6ME 0.9005
327 ES2 0.9004
328 MOK 0.9004
329 FCR 0.9004
330 NIZ 0.9003
331 QUS 0.9002
332 2AQ 0.9002
333 M1Z 0.9001
334 BVA 0.9001
335 ALE 0.9001
336 GT4 0.9000
337 XIY 0.9000
338 AJV 0.8998
339 INO 0.8997
340 5WZ 0.8996
341 1KP 0.8995
342 UA5 0.8994
343 COU 0.8993
344 MRW 0.8989
345 AWE 0.8988
346 X0W 0.8987
347 7Q1 0.8987
348 L99 0.8987
349 TMG 0.8986
350 HHS 0.8985
351 NDH 0.8984
352 HRM 0.8984
353 9UL 0.8981
354 PO6 0.8981
355 HBD 0.8981
356 EQW 0.8980
357 1KN 0.8979
358 44W 0.8979
359 ITE 0.8979
360 2HO 0.8977
361 CLW 0.8976
362 3QM 0.8976
363 SN4 0.8976
364 L03 0.8975
365 36R 0.8973
366 5VM 0.8971
367 EA1 0.8970
368 GZQ 0.8966
369 AJY 0.8964
370 7MU 0.8963
371 F9Y 0.8962
372 VC3 0.8962
373 1VK 0.8961
374 HCI 0.8960
375 LQ2 0.8960
376 BCK 0.8960
377 8WT 0.8958
378 R9J 0.8958
379 JGB 0.8957
380 H42 0.8957
381 UN1 0.8956
382 7O4 0.8956
383 FK8 0.8956
384 CXH 0.8956
385 N9J 0.8955
386 TYE 0.8954
387 4VY 0.8953
388 A7H 0.8953
389 RAT 0.8952
390 D3G 0.8951
391 5GU 0.8951
392 I1E 0.8950
393 GNM 0.8950
394 4NM 0.8948
395 GRO 0.8948
396 PBZ 0.8946
397 TOH 0.8945
398 SMN 0.8945
399 QIV 0.8945
400 N0Z 0.8944
401 XIZ 0.8942
402 AKG 0.8942
403 TSU 0.8941
404 BHO 0.8941
405 MMS 0.8940
406 5RO 0.8940
407 RMN 0.8940
408 2O6 0.8938
409 GWM 0.8936
410 2B4 0.8935
411 4M0 0.8935
412 M4T 0.8935
413 3J8 0.8931
414 39O 0.8928
415 AHN 0.8928
416 URO 0.8926
417 URI 0.8926
418 3VW 0.8925
419 MYJ 0.8925
420 XQ0 0.8925
421 HHR 0.8924
422 P80 0.8924
423 HSO 0.8922
424 SOV 0.8921
425 MXD 0.8921
426 FA0 0.8920
427 DHY 0.8920
428 LLH 0.8919
429 AP4 0.8919
430 1FD 0.8919
431 HWD 0.8918
432 826 0.8916
433 APG 0.8916
434 4AA 0.8916
435 8TX 0.8916
436 YZM 0.8915
437 174 0.8915
438 HQT 0.8915
439 27B 0.8914
440 MUA 0.8913
441 DOB 0.8913
442 PQS 0.8911
443 4ME 0.8910
444 JP2 0.8910
445 7W1 0.8909
446 TCA 0.8909
447 4JT 0.8909
448 KYN 0.8907
449 SNO 0.8907
450 12Q 0.8907
451 5WV 0.8907
452 JND 0.8906
453 B40 0.8906
454 LR8 0.8904
455 DHB 0.8904
456 AX3 0.8904
457 B4O 0.8903
458 CLZ 0.8903
459 EVF 0.8902
460 E5X 0.8901
461 4A3 0.8900
462 F69 0.8900
463 4J8 0.8899
464 SAF 0.8899
465 TYC 0.8899
466 44V 0.8898
467 AMH 0.8896
468 CWS 0.8895
469 BHA 0.8895
470 Y3L 0.8895
471 DHI 0.8894
472 4NC 0.8894
473 428 0.8893
474 0N7 0.8893
475 AMS 0.8891
476 FBS 0.8890
477 069 0.8890
478 NNO 0.8890
479 THA 0.8890
480 ERZ 0.8887
481 8D6 0.8887
482 3AE 0.8887
483 CTL 0.8887
484 ES7 0.8887
485 GF4 0.8885
486 P9P 0.8885
487 KJU 0.8884
488 ABV 0.8883
489 30G 0.8881
490 LOT 0.8881
491 KT7 0.8880
492 1P8 0.8879
493 KJH 0.8878
494 SOR 0.8878
495 LR5 0.8878
496 XRS 0.8877
497 IHB 0.8876
498 OMD 0.8876
499 M4S 0.8874
500 FQX 0.8873
501 C0H 0.8873
502 FBF 0.8872
503 4I8 0.8870
504 26C 0.8869
505 ZZA 0.8869
506 VXX 0.8869
507 EOU 0.8868
508 FHB 0.8867
509 GOJ 0.8867
510 SAN 0.8867
511 36M 0.8866
512 H4E 0.8865
513 5QX 0.8865
514 CS2 0.8865
515 DAH 0.8865
516 QME 0.8863
517 L15 0.8863
518 DNF 0.8863
519 URS 0.8862
520 VGD 0.8862
521 F2W 0.8862
522 P81 0.8862
523 PZI 0.8862
524 8NB 0.8861
525 IV2 0.8861
526 2FX 0.8860
527 MTL 0.8860
528 GO8 0.8858
529 N8Z 0.8856
530 AAN 0.8856
531 0FN 0.8856
532 4Z3 0.8856
533 Z5P 0.8855
534 T2D 0.8855
535 2K8 0.8853
536 5CU 0.8852
537 0P6 0.8852
538 4MU 0.8850
539 6J9 0.8850
540 ZEC 0.8849
541 BPN 0.8849
542 QSB 0.8848
543 6ZX 0.8846
544 S0D 0.8845
545 WOE 0.8844
546 JLZ 0.8843
547 2AK 0.8842
548 URC 0.8841
549 TJM 0.8840
550 93K 0.8840
551 GCO 0.8840
552 L14 0.8839
553 3HM 0.8839
554 B2T 0.8838
555 JZA 0.8838
556 8CM 0.8838
557 SKA 0.8838
558 S7J 0.8833
559 23J 0.8832
560 3ID 0.8831
561 R9Y 0.8829
562 FBM 0.8827
563 I5A 0.8827
564 6P3 0.8826
565 5AE 0.8825
566 LZ5 0.8825
567 7R4 0.8824
568 S2G 0.8824
569 FWD 0.8822
570 2MI 0.8822
571 HXY 0.8820
572 9FG 0.8820
573 9RW 0.8820
574 FCD 0.8818
575 HQD 0.8817
576 GJZ 0.8816
577 7ZL 0.8816
578 FUD 0.8815
579 5GT 0.8810
580 ASC 0.8810
581 OA1 0.8810
582 7UZ 0.8809
583 LDP 0.8809
584 5O6 0.8806
585 PQM 0.8805
586 5BT 0.8805
587 SNV 0.8804
588 ID2 0.8802
589 OOG 0.8802
590 QBK 0.8801
591 CTN 0.8800
592 CHB 0.8800
593 2JM 0.8800
594 X0V 0.8799
595 DHC 0.8799
596 URD 0.8798
597 LFC 0.8795
598 259 0.8794
599 4BZ 0.8794
600 78Y 0.8793
601 GUA 0.8793
602 DGN 0.8792
603 MCY 0.8792
604 YRL 0.8792
605 TOF 0.8791
606 JYB 0.8791
607 0A9 0.8790
608 6J5 0.8789
609 IAC 0.8789
610 IFP 0.8789
611 CTD 0.8788
612 2KA 0.8787
613 N2Y 0.8787
614 2PK 0.8786
615 268 0.8786
616 5NU 0.8786
617 THU 0.8785
618 1FF 0.8785
619 75K 0.8784
620 ISN 0.8784
621 M78 0.8783
622 9RH 0.8782
623 5RN 0.8782
624 QMP 0.8782
625 H5B 0.8781
626 KBZ 0.8781
627 TB8 0.8780
628 7W4 0.8778
629 9TW 0.8778
630 P7Y 0.8775
631 45L 0.8773
632 SHA 0.8772
633 FF3 0.8772
634 MD6 0.8772
635 2IT 0.8772
636 KKN 0.8772
637 DGL 0.8772
638 JCZ 0.8770
639 HNT 0.8769
640 KMY 0.8769
641 B21 0.8768
642 AAS 0.8768
643 THM 0.8768
644 LO1 0.8767
645 MAJ 0.8767
646 A3M 0.8766
647 CC5 0.8765
648 BTY 0.8765
649 88L 0.8762
650 PRF 0.8762
651 DZA 0.8761
652 AZ9 0.8761
653 KYA 0.8760
654 3Y7 0.8759
655 0FR 0.8759
656 ZEB 0.8757
657 E4P 0.8756
658 JMG 0.8754
659 PHI 0.8751
660 4FF 0.8749
661 HPS 0.8749
662 1P7 0.8749
663 270 0.8748
664 AX7 0.8748
665 SOJ 0.8746
666 ICO 0.8745
667 209 0.8745
668 XRX 0.8744
669 4HC 0.8744
670 XAZ 0.8743
671 JA8 0.8741
672 5AD 0.8741
673 4JC 0.8740
674 ARG 0.8740
675 DX3 0.8739
676 PRL 0.8738
677 8U3 0.8737
678 977 0.8737
679 DMD 0.8736
680 2FT 0.8735
681 4FH 0.8734
682 2WU 0.8734
683 TYU 0.8734
684 OW7 0.8733
685 7MX 0.8733
686 SKF 0.8732
687 CWD 0.8731
688 I3A 0.8730
689 EGR 0.8726
690 MAH 0.8726
691 DHZ 0.8725
692 TPA 0.8724
693 DI6 0.8721
694 0XT 0.8720
695 B85 0.8720
696 Y4L 0.8719
697 M1Q 0.8719
698 AY4 0.8717
699 HJ8 0.8716
700 OKG 0.8715
701 549 0.8715
702 2HG 0.8715
703 1X4 0.8713
704 OK7 0.8712
705 7ME 0.8710
706 6Q3 0.8709
707 791 0.8708
708 NID 0.8708
709 0W8 0.8708
710 ROI 0.8707
711 GLO 0.8706
712 IWD 0.8706
713 DHK 0.8705
714 5TT 0.8705
715 GZL 0.8704
716 BTM 0.8703
717 2PV 0.8703
718 4NZ 0.8702
719 P9E 0.8701
720 QBP 0.8701
721 XRG 0.8701
722 GDE 0.8701
723 CLU 0.8700
724 CFA 0.8700
725 J9W 0.8698
726 SKM 0.8698
727 GLU 0.8696
728 IYR 0.8695
729 8UY 0.8694
730 F16 0.8694
731 152 0.8694
732 EUE 0.8694
733 RQD 0.8693
734 AES 0.8692
735 9AP 0.8691
736 PD2 0.8691
737 F9P 0.8689
738 4SX 0.8688
739 20J 0.8688
740 B55 0.8686
741 S7S 0.8686
742 EKZ 0.8684
743 8IG 0.8684
744 BGP 0.8683
745 535 0.8683
746 N1E 0.8681
747 TAG 0.8680
748 APZ 0.8680
749 DIR 0.8679
750 BNF 0.8678
751 BWD 0.8678
752 6XI 0.8677
753 KLE 0.8675
754 MR1 0.8673
755 4NS 0.8671
756 Q02 0.8671
757 LDR 0.8670
758 PCS 0.8669
759 HPP 0.8668
760 LT2 0.8667
761 MUK 0.8667
762 A5Q 0.8664
763 INE 0.8664
764 ZYQ 0.8662
765 4KL 0.8662
766 4FP 0.8661
767 PIR 0.8659
768 9PL 0.8657
769 BQ5 0.8655
770 VNL 0.8654
771 1SA 0.8652
772 CSN 0.8651
773 F31 0.8650
774 N7I 0.8649
775 Q03 0.8649
776 OVM 0.8649
777 IOS 0.8648
778 HNM 0.8646
779 TRP 0.8645
780 3YP 0.8645
781 SYM 0.8645
782 Q88 0.8645
783 1Z8 0.8644
784 PDC 0.8642
785 SD4 0.8642
786 GGB 0.8639
787 TWO 0.8638
788 AMR 0.8638
789 JF1 0.8636
790 KF5 0.8635
791 UFO 0.8632
792 NAG 0.8632
793 M2K 0.8631
794 PRA 0.8630
795 DE3 0.8630
796 4NP 0.8629
797 A7N 0.8627
798 54Z 0.8624
799 Q24 0.8623
800 PTU 0.8623
801 5H6 0.8622
802 72E 0.8621
803 5XB 0.8620
804 N4E 0.8619
805 QMR 0.8618
806 WS7 0.8615
807 SQV 0.8613
808 LYS 0.8611
809 AVI 0.8608
810 A2G 0.8607
811 5JL 0.8605
812 PXL 0.8605
813 AJ2 0.8603
814 WSD 0.8603
815 0SY 0.8603
816 PYU 0.8598
817 Q71 0.8598
818 OW4 0.8593
819 3AL 0.8590
820 TTL 0.8590
821 R8V 0.8589
822 UFV 0.8586
823 MXN 0.8586
824 O45 0.8584
825 DTR 0.8583
826 86L 0.8578
827 JF2 0.8578
828 22L 0.8577
829 5JQ 0.8575
830 0DN 0.8571
831 CTS 0.8569
832 K7H 0.8563
833 HA7 0.8563
834 DNA 0.8561
835 ABF 0.8560
836 3Z8 0.8558
837 PBA 0.8550
838 Z13 0.8549
839 S2T 0.8543
840 5UD 0.8543
841 BZX 0.8538
842 A09 0.8538
843 I4B 0.8536
844 GEO 0.8529
845 CCU 0.8529
846 BPS 0.8524
847 TH7 0.8516
848 B5D 0.8509
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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