Receptor
PDB id Resolution Class Description Source Keywords
4G44 1.24 Å EC: 1.14.-.- STRUCTURE OF P450 CYP121 IN COMPLEX WITH LEAD COMPOUND MB286 1,2,4-TRIAZOL-1-YL)METHYL)ANILINE 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;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
96.063 O4 S [O-]S...
TZM A:405;
A:406;
 Valid;
Valid;
 none;
none;
 Kd = 1.6 mM
174.202 C9 H10 N4 c1cc(...
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: TZM; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 TZM 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: TZM; Similar ligands found: 841
No: Ligand Similarity coefficient
1 GZ2 0.9755
2 54F 0.9713
3 1BN 0.9706
4 M6H 0.9617
5 9W5 0.9589
6 7ZL 0.9584
7 6HO 0.9508
8 GNW 0.9505
9 3QO 0.9480
10 M5E 0.9473
11 DHY 0.9453
12 7VY 0.9412
13 FK8 0.9407
14 DHC 0.9404
15 LL1 0.9392
16 0OO 0.9392
17 R9G 0.9386
18 PPY 0.9385
19 14W 0.9374
20 C82 0.9372
21 HCI 0.9354
22 6J9 0.9352
23 XDK 0.9351
24 1VK 0.9349
25 C0H 0.9345
26 6TZ 0.9345
27 YIE 0.9339
28 7R4 0.9339
29 R20 0.9331
30 OA1 0.9327
31 HQJ 0.9321
32 C53 0.9310
33 3VW 0.9307
34 CXP 0.9307
35 N9J 0.9305
36 0QW 0.9302
37 LL2 0.9291
38 J0Z 0.9289
39 HLP 0.9285
40 YOF 0.9284
41 BZQ 0.9283
42 1ZC 0.9281
43 TRP 0.9278
44 EXD 0.9276
45 263 0.9272
46 SAF 0.9272
47 XQI 0.9270
48 61M 0.9268
49 HIS 0.9267
50 RLG 0.9266
51 PHE 0.9265
52 HHV 0.9262
53 J4K 0.9257
54 BNL 0.9250
55 S2P 0.9249
56 3HP 0.9247
57 2O6 0.9239
58 NFA 0.9237
59 TYR 0.9235
60 M45 0.9235
61 PO6 0.9233
62 33S 0.9230
63 ZME 0.9229
64 DAH 0.9229
65 QUS 0.9229
66 9FE 0.9222
67 0OL 0.9218
68 L22 0.9216
69 P80 0.9214
70 N2Y 0.9213
71 848 0.9211
72 ENO 0.9204
73 3C4 0.9204
74 K7M 0.9203
75 M02 0.9203
76 HA5 0.9190
77 ONR 0.9190
78 4FP 0.9189
79 NCT 0.9188
80 MXD 0.9188
81 HX8 0.9183
82 YIP 0.9183
83 X48 0.9181
84 BP7 0.9180
85 CLU 0.9179
86 6Q3 0.9179
87 TOH 0.9178
88 0F9 0.9177
89 KTA 0.9175
90 HFA 0.9172
91 FPL 0.9170
92 56D 0.9170
93 MJ5 0.9167
94 KTW 0.9166
95 I2E 0.9165
96 CH8 0.9161
97 9UL 0.9159
98 23N 0.9156
99 HNL 0.9155
100 OOG 0.9155
101 5O5 0.9155
102 BZS 0.9155
103 4ZD 0.9152
104 OJD 0.9152
105 AHN 0.9150
106 S7V 0.9149
107 6J5 0.9144
108 CPZ 0.9143
109 EYV 0.9140
110 HNK 0.9139
111 TZP 0.9136
112 L5V 0.9134
113 11X 0.9131
114 M1Z 0.9128
115 MES 0.9126
116 KLS 0.9124
117 MMS 0.9123
118 9VQ 0.9123
119 K80 0.9123
120 FER 0.9120
121 IYR 0.9120
122 ALE 0.9119
123 LTN 0.9116
124 YIH 0.9116
125 HX4 0.9113
126 M3E 0.9113
127 4V2 0.9111
128 BB4 0.9110
129 ARG 0.9109
130 EXG 0.9108
131 QH3 0.9108
132 MSR 0.9107
133 OMD 0.9106
134 DTR 0.9105
135 H4E 0.9103
136 6FZ 0.9102
137 HXY 0.9102
138 7Q1 0.9096
139 CMU 0.9095
140 536 0.9090
141 M74 0.9090
142 N3W 0.9089
143 L99 0.9089
144 5JT 0.9087
145 7VP 0.9087
146 VJJ 0.9086
147 DPN 0.9085
148 AX3 0.9085
149 M5H 0.9085
150 AY4 0.9084
151 3YP 0.9083
152 C1M 0.9082
153 RNO 0.9082
154 DGN 0.9079
155 B3U 0.9079
156 EYJ 0.9079
157 GVG 0.9077
158 R2P 0.9076
159 YZM 0.9075
160 PIM 0.9075
161 11C 0.9074
162 4PN 0.9074
163 BPY 0.9072
164 SBK 0.9070
165 BNF 0.9069
166 ITW 0.9069
167 LNR 0.9068
168 1Z6 0.9067
169 3IL 0.9066
170 MNP 0.9066
171 1X4 0.9065
172 HJH 0.9064
173 36E 0.9062
174 SNO 0.9062
175 M3H 0.9060
176 EQW 0.9059
177 IOS 0.9056
178 S7A 0.9055
179 BZE 0.9054
180 7QS 0.9054
181 8U3 0.9052
182 DTY 0.9052
183 DI6 0.9051
184 TLM 0.9051
185 1L5 0.9051
186 D2G 0.9050
187 HSX 0.9050
188 7UZ 0.9048
189 VXX 0.9047
190 LJ4 0.9047
191 GO2 0.9043
192 KTJ 0.9043
193 TCA 0.9039
194 HNH 0.9038
195 PPT 0.9038
196 0FR 0.9037
197 DCZ 0.9037
198 0A9 0.9036
199 FF2 0.9033
200 ABF 0.9032
201 PFF 0.9032
202 B40 0.9030
203 IOP 0.9030
204 LSQ 0.9029
205 1A7 0.9029
206 5LD 0.9028
207 KDG 0.9026
208 4XF 0.9026
209 AMQ 0.9026
210 9BF 0.9025
211 A29 0.9025
212 VM1 0.9025
213 SSC 0.9024
214 9ZE 0.9023
215 363 0.9020
216 GLR 0.9020
217 X6P 0.9019
218 HQ9 0.9017
219 HIC 0.9013
220 CH9 0.9013
221 5DL 0.9012
222 M2E 0.9010
223 92P 0.9010
224 AVA 0.9010
225 XI7 0.9009
226 15N 0.9009
227 2JX 0.9009
228 HHH 0.9009
229 AKG 0.9008
230 JRB 0.9007
231 M3P 0.9006
232 CUQ 0.9005
233 TYE 0.9005
234 3EB 0.9005
235 GO8 0.9004
236 AHC 0.9003
237 0FK 0.9003
238 531 0.9002
239 S0F 0.9001
240 KF5 0.8999
241 JF6 0.8998
242 F4K 0.8998
243 CK2 0.8996
244 MPK 0.8996
245 Q9Z 0.8994
246 3CR 0.8993
247 DXG 0.8991
248 EGR 0.8989
249 4LW 0.8989
250 SHI 0.8989
251 ENV 0.8988
252 TOM 0.8988
253 2LT 0.8986
254 BZM 0.8985
255 4HP 0.8985
256 P58 0.8985
257 PW1 0.8985
258 YTX 0.8985
259 F63 0.8985
260 IAC 0.8984
261 EVF 0.8984
262 8OZ 0.8983
263 PIY 0.8983
264 5NI 0.8983
265 AOT 0.8982
266 54X 0.8981
267 XIZ 0.8980
268 A3M 0.8978
269 EN1 0.8978
270 B41 0.8978
271 50C 0.8978
272 C2Y 0.8978
273 92G 0.8977
274 173 0.8977
275 FUZ 0.8976
276 1YO 0.8975
277 J6W 0.8974
278 36M 0.8973
279 RP5 0.8972
280 TSR 0.8970
281 RK4 0.8968
282 SOJ 0.8967
283 TZF 0.8966
284 ICB 0.8962
285 7Y3 0.8962
286 PBN 0.8962
287 1F1 0.8961
288 OGA 0.8961
289 KYN 0.8960
290 463 0.8959
291 DIR 0.8959
292 9X3 0.8959
293 SQ4 0.8958
294 SQV 0.8957
295 A5E 0.8957
296 MAJ 0.8955
297 CIY 0.8953
298 CXH 0.8953
299 PJL 0.8953
300 BQ2 0.8952
301 YF3 0.8952
302 HL4 0.8951
303 HPP 0.8950
304 GAE 0.8950
305 HF2 0.8950
306 CIR 0.8949
307 ESI 0.8948
308 A7Q 0.8947
309 CS2 0.8946
310 RKV 0.8945
311 9B3 0.8944
312 PH3 0.8944
313 CCV 0.8943
314 6C5 0.8943
315 ERZ 0.8942
316 52C 0.8941
317 DZA 0.8941
318 E35 0.8941
319 069 0.8940
320 CUT 0.8940
321 6NI 0.8940
322 GXG 0.8939
323 IWT 0.8939
324 1PS 0.8938
325 2HC 0.8938
326 N7I 0.8936
327 FWD 0.8935
328 M6Z 0.8934
329 0OP 0.8934
330 NVU 0.8934
331 XDE 0.8933
332 P7Y 0.8932
333 2UB 0.8932
334 FHC 0.8931
335 4BF 0.8929
336 TYL 0.8929
337 CWD 0.8928
338 B4O 0.8923
339 4OG 0.8922
340 LJ3 0.8921
341 F06 0.8921
342 C0W 0.8920
343 GGB 0.8918
344 2NP 0.8916
345 4TB 0.8914
346 3IP 0.8913
347 ING 0.8912
348 VNL 0.8911
349 CLT 0.8911
350 3XH 0.8911
351 H7Y 0.8908
352 92K 0.8906
353 3Y7 0.8905
354 MP5 0.8905
355 EXR 0.8905
356 2HG 0.8905
357 F90 0.8904
358 M4E 0.8904
359 DLT 0.8903
360 F52 0.8902
361 PBA 0.8901
362 NPA 0.8901
363 1WC 0.8901
364 LDP 0.8900
365 0JD 0.8900
366 NIY 0.8899
367 FNA 0.8898
368 PLR 0.8897
369 GLU 0.8897
370 MQB 0.8896
371 HNM 0.8894
372 S0W 0.8892
373 CFA 0.8890
374 F4E 0.8890
375 JF2 0.8890
376 HWD 0.8889
377 SMN 0.8889
378 S0E 0.8889
379 PRO GLY 0.8889
380 0W1 0.8889
381 DUR 0.8888
382 NAG 0.8887
383 PAC 0.8887
384 JFM 0.8885
385 XRX 0.8885
386 TIH 0.8883
387 0QA 0.8883
388 GLN 0.8883
389 JZA 0.8883
390 GWM 0.8882
391 E1P 0.8881
392 36Y 0.8881
393 0OY 0.8880
394 D3G 0.8879
395 JF1 0.8879
396 A9P 0.8878
397 TX4 0.8876
398 IWD 0.8876
399 T03 0.8875
400 V1T 0.8874
401 0HN 0.8872
402 NLQ 0.8870
403 1XA 0.8869
404 ZEC 0.8867
405 UN1 0.8866
406 AVO 0.8865
407 ESP 0.8865
408 SRO 0.8864
409 57O 0.8862
410 SNU 0.8861
411 KMY 0.8860
412 TQU 0.8858
413 8OE 0.8858
414 5F5 0.8858
415 4WF 0.8857
416 TYC 0.8856
417 BWD 0.8856
418 XRS 0.8856
419 3LR 0.8856
420 4LV 0.8856
421 3A9 0.8855
422 SKF 0.8855
423 QIV 0.8854
424 AHL 0.8853
425 DHI 0.8853
426 RE4 0.8853
427 5WZ 0.8852
428 DDU 0.8852
429 CC5 0.8849
430 CUH 0.8848
431 PRA 0.8847
432 H35 0.8846
433 L21 0.8846
434 S8D 0.8846
435 2V0 0.8845
436 3IB 0.8844
437 NBG 0.8843
438 GZV 0.8843
439 DA3 0.8843
440 X0V 0.8842
441 ZIQ 0.8841
442 PLP 0.8840
443 N2M 0.8839
444 1QP 0.8839
445 9F8 0.8838
446 5GT 0.8837
447 NYL 0.8837
448 BP3 0.8837
449 J9Q 0.8836
450 795 0.8835
451 ISA 0.8835
452 MD6 0.8834
453 5F8 0.8833
454 AX4 0.8832
455 SG2 0.8832
456 XYH 0.8832
457 R8Y 0.8831
458 API 0.8831
459 6NZ 0.8830
460 A9O 0.8830
461 B85 0.8830
462 5FL 0.8829
463 ZON 0.8829
464 S2G 0.8828
465 N8Y 0.8827
466 4BY 0.8825
467 3QM 0.8824
468 GF4 0.8822
469 5WN 0.8822
470 S7G 0.8822
471 N1E 0.8820
472 0HO 0.8820
473 12T 0.8820
474 HC4 0.8820
475 2CZ 0.8819
476 2MR 0.8819
477 2ZM 0.8818
478 GCO 0.8818
479 DHB 0.8817
480 SZ7 0.8817
481 CTE 0.8817
482 PDC 0.8817
483 QBM 0.8816
484 BRH 0.8816
485 GRF 0.8815
486 ESX 0.8815
487 56N 0.8814
488 5XB 0.8814
489 ASC 0.8813
490 AEG 0.8813
491 9PL 0.8811
492 JND 0.8811
493 4A5 0.8811
494 HPT 0.8809
495 BZ2 0.8809
496 M3Q 0.8809
497 8NX 0.8807
498 22L 0.8807
499 CK1 0.8806
500 6ZX 0.8806
501 E4P 0.8806
502 22F 0.8804
503 SB7 0.8804
504 N2Z 0.8804
505 XCG 0.8804
506 M78 0.8803
507 2IT 0.8803
508 A4V 0.8802
509 A6H 0.8802
510 AVI 0.8802
511 JAW 0.8801
512 LEL 0.8801
513 ATX 0.8801
514 3ZB 0.8801
515 KMH 0.8800
516 NFM 0.8800
517 LTT 0.8800
518 RP3 0.8799
519 6NT 0.8799
520 JDN 0.8798
521 CHQ 0.8798
522 GRO 0.8797
523 3NF 0.8797
524 DGL 0.8795
525 V15 0.8795
526 4FH 0.8794
527 PMF 0.8793
528 GGL 0.8793
529 CR1 0.8793
530 7OD 0.8791
531 PRZ 0.8790
532 Q06 0.8790
533 HVE 0.8789
534 PYU 0.8789
535 PHI 0.8788
536 9KH 0.8787
537 SYC 0.8787
538 BDJ 0.8787
539 GJK 0.8787
540 MUC 0.8786
541 41K 0.8784
542 2UD 0.8783
543 PJW 0.8783
544 AC2 0.8783
545 M6P 0.8782
546 2DL 0.8781
547 8G0 0.8780
548 7MX 0.8780
549 APG 0.8779
550 SOV 0.8779
551 N2I 0.8779
552 MPV 0.8778
553 MOK 0.8778
554 DEZ 0.8778
555 DAR 0.8776
556 JB8 0.8775
557 7BC 0.8775
558 TB8 0.8775
559 2B4 0.8775
560 EOL 0.8774
561 J9Y 0.8774
562 FCD 0.8771
563 S24 0.8771
564 0NX 0.8771
565 QME 0.8769
566 Q03 0.8769
567 EUE 0.8768
568 23J 0.8768
569 5B2 0.8768
570 XFE 0.8768
571 X11 0.8767
572 25O 0.8767
573 97T 0.8767
574 9RW 0.8767
575 EWG 0.8766
576 EQA 0.8766
577 PQT 0.8764
578 TAG 0.8764
579 RUY 0.8763
580 428 0.8763
581 MPP 0.8763
582 N4B 0.8763
583 DEW 0.8763
584 G6P 0.8762
585 DNF 0.8761
586 UFV 0.8759
587 ZYV 0.8758
588 E79 0.8757
589 TSS 0.8754
590 DER 0.8753
591 C6Z 0.8753
592 FUD 0.8753
593 OHJ 0.8750
594 DC5 0.8750
595 268 0.8750
596 67Y 0.8750
597 TT4 0.8749
598 S0G 0.8749
599 A5P 0.8749
600 3NY 0.8749
601 9FH 0.8748
602 AMR 0.8748
603 ANC 0.8748
604 NMM 0.8747
605 TU0 0.8747
606 3W1 0.8747
607 ZZU 0.8746
608 REL 0.8746
609 5PV 0.8745
610 S8V 0.8745
611 J9N 0.8744
612 DCN 0.8744
613 RQD 0.8744
614 HO6 0.8738
615 4SX 0.8738
616 TH4 0.8736
617 2BG 0.8736
618 M01 0.8733
619 2F6 0.8733
620 R9S 0.8731
621 6QF 0.8731
622 7O4 0.8730
623 6HX 0.8730
624 6DP 0.8729
625 RMN 0.8728
626 HHI 0.8727
627 HPS 0.8727
628 WVV 0.8727
629 3VX 0.8726
630 W29 0.8726
631 L13 0.8726
632 ILO 0.8725
633 BZJ 0.8725
634 URS 0.8723
635 8OB 0.8723
636 977 0.8723
637 2K8 0.8723
638 QY9 0.8722
639 78U 0.8721
640 AX5 0.8721
641 DXP 0.8721
642 Q02 0.8720
643 SV4 0.8720
644 NNH 0.8720
645 0L1 0.8719
646 3TC 0.8718
647 2GA 0.8718
648 LT1 0.8717
649 27B 0.8716
650 R5P 0.8716
651 2HU 0.8714
652 E9P 0.8712
653 QTV 0.8712
654 2KU 0.8711
655 92O 0.8711
656 GVY 0.8711
657 IL5 0.8710
658 42J 0.8710
659 264 0.8707
660 P81 0.8706
661 GJP 0.8705
662 258 0.8704
663 OHP 0.8704
664 K97 0.8703
665 3B4 0.8703
666 NIR 0.8700
667 3LJ 0.8699
668 7C3 0.8698
669 6KT 0.8698
670 TMG 0.8697
671 TA6 0.8696
672 ODK 0.8695
673 BY5 0.8695
674 B2T 0.8695
675 PD2 0.8695
676 2JJ 0.8695
677 BCK 0.8692
678 NOK 0.8692
679 8WT 0.8692
680 LLT 0.8691
681 5RP 0.8690
682 STX 0.8689
683 FTV 0.8689
684 657 0.8689
685 BCU 0.8688
686 PSJ 0.8688
687 SDD 0.8688
688 EGV 0.8687
689 S3C 0.8687
690 RVE 0.8686
691 0A1 0.8685
692 4I8 0.8684
693 R9J 0.8683
694 F98 0.8681
695 PMP 0.8680
696 HHS 0.8679
697 YPN 0.8679
698 IM4 0.8679
699 EYY 0.8678
700 A18 0.8678
701 ZZA 0.8676
702 BPW 0.8676
703 IVL 0.8675
704 9E3 0.8674
705 2FX 0.8674
706 344 0.8674
707 BG6 0.8674
708 OTR 0.8673
709 SEP 0.8672
710 GLO 0.8671
711 QMS 0.8671
712 JP2 0.8671
713 LZ5 0.8671
714 BGP 0.8668
715 E0O 0.8665
716 EKZ 0.8664
717 D4G 0.8663
718 8NB 0.8661
719 TCC 0.8661
720 ICO 0.8660
721 GXD 0.8658
722 WCU 0.8658
723 GJZ 0.8657
724 45L 0.8657
725 KPA 0.8657
726 152 0.8657
727 1OH 0.8656
728 EV0 0.8656
729 P9P 0.8656
730 O45 0.8656
731 DHS 0.8656
732 LLH 0.8654
733 TL6 0.8654
734 5AD 0.8653
735 RNK 0.8653
736 QFJ 0.8651
737 FMQ 0.8651
738 XEN 0.8651
739 AUV 0.8651
740 55D 0.8650
741 3PG 0.8650
742 7I2 0.8650
743 JFJ 0.8649
744 TCL 0.8649
745 78P 0.8649
746 IHB 0.8648
747 5SP 0.8648
748 URO 0.8647
749 DTE 0.8646
750 ABI 0.8645
751 Q4G 0.8644
752 4VY 0.8643
753 THU 0.8642
754 8ZE 0.8641
755 JF5 0.8640
756 TPA 0.8637
757 G14 0.8635
758 G1P 0.8635
759 HMS 0.8634
760 DHM 0.8634
761 NLG 0.8632
762 INO 0.8631
763 3HG 0.8631
764 Q04 0.8631
765 I4B 0.8630
766 LYS 0.8630
767 8W9 0.8629
768 1M2 0.8628
769 JTH 0.8625
770 2L1 0.8623
771 IFP 0.8622
772 IQQ 0.8620
773 9FL 0.8619
774 AZM 0.8619
775 CTV 0.8618
776 SLY 0.8616
777 KUF 0.8616
778 PXP 0.8615
779 ELH 0.8614
780 2BX 0.8614
781 GC3 0.8614
782 2QC 0.8614
783 M4T 0.8612
784 5VL 0.8610
785 BL0 0.8609
786 2J5 0.8608
787 SOR 0.8608
788 X1P 0.8607
789 8GK 0.8606
790 M6D 0.8605
791 QMP 0.8604
792 FOM 0.8604
793 R9M 0.8604
794 F6P 0.8599
795 EUH 0.8597
796 HAR 0.8597
797 PTB 0.8597
798 HBO 0.8592
799 A8K 0.8592
800 BGU 0.8591
801 TEG 0.8591
802 AM1 0.8589
803 9TW 0.8586
804 AEY 0.8586
805 9SE 0.8584
806 CCU 0.8584
807 C5A 0.8580
808 AS3 0.8579
809 QSB 0.8578
810 94W 0.8577
811 F16 0.8577
812 H4B 0.8577
813 EXL 0.8573
814 BIO 0.8573
815 EV2 0.8570
816 GVQ 0.8569
817 SZA 0.8565
818 STT 0.8564
819 692 0.8562
820 4TP 0.8556
821 BHU 0.8553
822 MTL 0.8553
823 CHB 0.8552
824 SWX 0.8549
825 XIF XYP 0.8548
826 4XS 0.8545
827 CSN 0.8540
828 UKV 0.8540
829 WOE 0.8539
830 8GL 0.8539
831 MZT 0.8536
832 Q5M 0.8535
833 2FT 0.8533
834 68A 0.8526
835 TIA 0.8525
836 4XV 0.8524
837 3VR 0.8523
838 4P5 0.8522
839 DBS 0.8515
840 UFO 0.8509
841 GOJ 0.8508
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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