Receptor
PDB id Resolution Class Description Source Keywords
4G1X 1.3 Å EC: 1.14.-.- CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS CYP121 IN CO 4-(1H-1,2,4-TRIAZOL-1-YL)QUINOLIN-6-AMINE MYCOBACTERIUM TUBERCULOSIS P450 OXIDOREDUCTASE CYY C-C BOND FORMATION ASSUMED CYTOSOXIDOREDUCTASE-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
DMS A:405;
A:406;
A:407;
A:408;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
78.133 C2 H6 O S CS(=O...
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...
TQU A:409;
A:410;
Valid;
Valid;
none;
none;
Kd = 28 uM
211.223 C11 H9 N5 c1cc2...
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: TQU; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 TQU 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: TQU; Similar ligands found: 496
No: Ligand Similarity coefficient
1 8WZ 0.9619
2 96U 0.9575
3 8GK 0.9547
4 96R 0.9541
5 CR1 0.9462
6 VYM 0.9448
7 XFE 0.9402
8 EYA 0.9387
9 4KL 0.9371
10 DNC 0.9359
11 HNQ 0.9350
12 EYM 0.9346
13 25O 0.9332
14 7FF 0.9290
15 5V7 0.9285
16 KYA 0.9284
17 NBG 0.9277
18 BB4 0.9274
19 5OF 0.9260
20 JR2 0.9250
21 XQK 0.9248
22 54X 0.9237
23 67Y 0.9232
24 2SX 0.9229
25 MYI 0.9227
26 6J9 0.9227
27 QZ8 0.9220
28 28S 0.9217
29 1FF 0.9217
30 7I2 0.9213
31 OX2 0.9208
32 CSN 0.9203
33 IOS 0.9202
34 790 0.9198
35 2D3 0.9193
36 9GP 0.9184
37 A1Y 0.9182
38 8XQ 0.9182
39 ZME 0.9176
40 22L 0.9174
41 JAK 0.9167
42 SRO 0.9167
43 C9E 0.9162
44 772 0.9159
45 G1P 0.9158
46 4ME 0.9149
47 KLK 0.9148
48 AC2 0.9146
49 6XI 0.9145
50 9UG 0.9136
51 QPR 0.9136
52 9UL 0.9135
53 M5N 0.9135
54 NVU 0.9133
55 LDR 0.9130
56 F52 0.9129
57 YO5 0.9129
58 2LY 0.9127
59 A9O 0.9127
60 BK9 0.9126
61 AY4 0.9125
62 NLA 0.9122
63 MQB 0.9120
64 QMS 0.9120
65 9AP 0.9120
66 M5H 0.9120
67 0FK 0.9119
68 5NS 0.9113
69 T6Z 0.9113
70 I6G 0.9103
71 KF5 0.9101
72 5VJ 0.9098
73 UAN 0.9095
74 AIN 0.9094
75 TNF 0.9092
76 512 0.9092
77 SBK 0.9092
78 AOJ 0.9089
79 DNF 0.9088
80 O2A 0.9082
81 GRX 0.9076
82 NTZ 0.9076
83 MFR 0.9076
84 7ZL 0.9074
85 28N 0.9072
86 EY7 0.9071
87 2ZQ 0.9068
88 5JT 0.9067
89 7ZE 0.9066
90 30G 0.9066
91 0GZ 0.9066
92 FLV 0.9066
93 6BL 0.9065
94 RVE 0.9065
95 1X8 0.9062
96 SBI 0.9059
97 692 0.9058
98 C2Y 0.9057
99 SYR 0.9054
100 IAC 0.9052
101 1QP 0.9051
102 61M 0.9047
103 TSR 0.9047
104 MHK 0.9046
105 LZ2 0.9045
106 5NE 0.9044
107 TNL 0.9042
108 GCB 0.9040
109 7MX 0.9040
110 92P 0.9039
111 GI3 0.9038
112 1Z8 0.9037
113 6PB 0.9036
114 CBF 0.9035
115 HLD 0.9035
116 M3Q 0.9032
117 8G6 0.9029
118 226 0.9027
119 Z5P 0.9025
120 64C 0.9025
121 KFN 0.9024
122 M4B 0.9024
123 4VS 0.9022
124 7ZC 0.9021
125 4GP 0.9021
126 89J 0.9021
127 JUO 0.9005
128 OKM 0.9000
129 ONR 0.8998
130 B4O 0.8996
131 I59 0.8994
132 CUT 0.8993
133 M6Z 0.8993
134 60Q 0.8989
135 IPT 0.8984
136 49O 0.8984
137 67X 0.8983
138 B56 0.8981
139 X8D 0.8980
140 CKA 0.8979
141 VXX 0.8979
142 6DP 0.8976
143 6R8 0.8972
144 K3Y 0.8967
145 GCU 0.8963
146 7WR 0.8961
147 IBM 0.8960
148 BDP 0.8958
149 8HC 0.8958
150 EVA 0.8958
151 M4E 0.8957
152 EVO 0.8957
153 F69 0.8956
154 774 0.8953
155 MT8 0.8943
156 0Q2 0.8941
157 49N 0.8939
158 ELH 0.8936
159 2LX 0.8934
160 61O 0.8932
161 LL1 0.8932
162 UFO 0.8931
163 209 0.8931
164 2JK 0.8931
165 QVK 0.8929
166 5WY 0.8928
167 OTD 0.8922
168 3Y7 0.8918
169 BCK 0.8918
170 3N4 0.8916
171 X6P 0.8914
172 AM1 0.8910
173 PDC 0.8910
174 11G 0.8910
175 0F9 0.8909
176 L98 0.8907
177 KDO 0.8906
178 7CT 0.8905
179 AMR 0.8901
180 W8G 0.8899
181 5WU 0.8897
182 EXR 0.8896
183 F95 0.8894
184 H33 0.8893
185 N3W 0.8892
186 1U7 0.8890
187 APS 0.8890
188 FBG 0.8888
189 LP8 0.8887
190 1X7 0.8887
191 M0W 0.8887
192 A0O 0.8887
193 9X5 0.8886
194 582 0.8885
195 PEY 0.8882
196 DPZ 0.8882
197 VNL 0.8880
198 FA6 0.8880
199 8DA 0.8880
200 MNP 0.8879
201 KDN 0.8878
202 ETV 0.8877
203 8VN 0.8876
204 9F8 0.8875
205 N8Y 0.8875
206 SYA 0.8874
207 57O 0.8874
208 2KU 0.8870
209 6VD 0.8868
210 M0Q 0.8868
211 BPY 0.8868
212 TRP 0.8865
213 DK1 0.8864
214 K3Q 0.8862
215 5PX 0.8861
216 5F5 0.8861
217 TZM 0.8858
218 JTH 0.8857
219 MEX 0.8855
220 1XA 0.8851
221 HA5 0.8850
222 ARP 0.8850
223 BN1 0.8847
224 2O6 0.8845
225 A3Q 0.8844
226 TTY 0.8843
227 JKZ 0.8839
228 9FE 0.8839
229 OSB 0.8837
230 7VS 0.8835
231 NID 0.8833
232 RUG 0.8832
233 OA3 0.8831
234 XZ8 0.8830
235 LIP 0.8830
236 R6T 0.8829
237 2J9 0.8828
238 DBJ 0.8826
239 537 0.8825
240 56N 0.8824
241 ZYW 0.8823
242 5RN 0.8821
243 GV9 0.8820
244 8VE 0.8819
245 DHK 0.8818
246 3J8 0.8817
247 TWB 0.8816
248 KIF 0.8815
249 I7A 0.8814
250 M1H 0.8814
251 3GC 0.8812
252 8NX 0.8811
253 8HG 0.8808
254 BQ5 0.8805
255 XH2 0.8805
256 KY3 0.8803
257 8W9 0.8803
258 091 0.8802
259 ICO 0.8802
260 V1T 0.8801
261 36Z 0.8801
262 5VL 0.8800
263 F12 0.8800
264 KDM 0.8800
265 GG5 0.8795
266 1AL 0.8795
267 GI1 0.8795
268 1VK 0.8794
269 APZ 0.8793
270 HLZ 0.8793
271 HJB 0.8792
272 NPL 0.8792
273 OMD 0.8792
274 BGC 0.8791
275 BPU 0.8789
276 64E 0.8789
277 NQM 0.8788
278 7NU 0.8786
279 KOM 0.8782
280 CKU 0.8780
281 4AN 0.8777
282 RD4 0.8775
283 I46 0.8773
284 LLT 0.8770
285 ZON 0.8769
286 29B 0.8767
287 MPK 0.8767
288 THM 0.8767
289 7ML 0.8766
290 NPA 0.8765
291 GLS 0.8765
292 15N 0.8764
293 S3P 0.8764
294 KP2 0.8763
295 5RO 0.8761
296 DNA 0.8760
297 B2T 0.8759
298 MOK 0.8755
299 F6P 0.8754
300 HWH 0.8753
301 23J 0.8753
302 LI6 0.8752
303 MB1 0.8750
304 4XV 0.8749
305 ISJ 0.8748
306 9KT 0.8746
307 9PY 0.8746
308 BZQ 0.8746
309 DTR 0.8746
310 YM6 0.8746
311 CE2 0.8744
312 A9P 0.8744
313 2T4 0.8743
314 DXK 0.8743
315 GL1 0.8741
316 DRG 0.8740
317 5M8 0.8740
318 JAA 0.8739
319 ZYR 0.8739
320 TSS 0.8738
321 JF2 0.8738
322 G6P 0.8737
323 4NO 0.8735
324 EV2 0.8735
325 KTW 0.8734
326 DC5 0.8733
327 LT8 0.8733
328 IPD 0.8732
329 BPS 0.8732
330 VM1 0.8732
331 NBB 0.8732
332 0GY 0.8731
333 GTR 0.8729
334 U1K 0.8729
335 3IL 0.8725
336 42C 0.8725
337 CUH 0.8723
338 0DN 0.8722
339 GC2 0.8721
340 P20 0.8720
341 0OL 0.8719
342 8G0 0.8719
343 FXH 0.8719
344 4A5 0.8718
345 MIF 0.8718
346 INE 0.8718
347 NAG 0.8716
348 PD2 0.8715
349 GMP 0.8711
350 2K8 0.8710
351 LEL 0.8709
352 5FL 0.8707
353 B60 0.8706
354 XM5 0.8705
355 T28 0.8705
356 CFA 0.8705
357 8S0 0.8704
358 N2Z 0.8702
359 LTN 0.8702
360 UXH 0.8701
361 H5B 0.8700
362 EXD 0.8700
363 BEA 0.8699
364 Q6T 0.8699
365 BIO 0.8698
366 J9Q 0.8696
367 5F8 0.8693
368 1M4 0.8692
369 JP2 0.8689
370 9ZE 0.8688
371 SQP 0.8688
372 LT3 0.8688
373 WUB 0.8687
374 UFV 0.8686
375 G3F 0.8686
376 IJZ 0.8686
377 HKD 0.8686
378 GDE 0.8685
379 SG2 0.8684
380 KGK 0.8683
381 5WT 0.8683
382 GLC 0.8681
383 SQ7 0.8680
384 HHS 0.8680
385 32V 0.8679
386 TDH 0.8678
387 2KA 0.8676
388 N7I 0.8676
389 S0G 0.8675
390 6NJ 0.8674
391 5P3 0.8671
392 GNG 0.8671
393 TIY 0.8670
394 ID2 0.8669
395 GCS 0.8668
396 FOT 0.8667
397 P9I 0.8666
398 JF1 0.8665
399 CG8 0.8664
400 78P 0.8664
401 3WJ 0.8664
402 CPW 0.8663
403 GZ2 0.8662
404 SOR 0.8661
405 PJW 0.8660
406 MAQ 0.8660
407 PRZ 0.8660
408 GOG 0.8657
409 GTV 0.8656
410 MCY 0.8656
411 CGW 0.8655
412 H7S 0.8655
413 OUB 0.8651
414 PVK 0.8651
415 4MU 0.8650
416 PVQ 0.8650
417 NQH 0.8650
418 BY5 0.8649
419 S8D 0.8646
420 5E4 0.8645
421 AUV 0.8645
422 4XS 0.8644
423 FGZ 0.8643
424 0JD 0.8642
425 R8Y 0.8642
426 4TU 0.8641
427 L7T 0.8641
428 7NI 0.8641
429 LGC 0.8641
430 7B3 0.8639
431 MS0 0.8638
432 CTN 0.8637
433 AKH 0.8637
434 B86 0.8637
435 ESI 0.8636
436 YKG 0.8635
437 FA3 0.8633
438 EGR 0.8633
439 TXW 0.8631
440 CIT 0.8631
441 SQ4 0.8629
442 MXX 0.8628
443 HBI 0.8628
444 M2K 0.8627
445 K68 0.8623
446 CH9 0.8623
447 1WC 0.8621
448 A3K 0.8620
449 52C 0.8620
450 GAL 0.8617
451 RXA 0.8617
452 SNB 0.8616
453 CCV 0.8615
454 FLC 0.8615
455 VK3 0.8615
456 LFQ 0.8614
457 PLP 0.8612
458 BOQ 0.8611
459 PH2 0.8608
460 EOL 0.8608
461 2GQ 0.8607
462 9KH 0.8605
463 AJD 0.8604
464 EWG 0.8601
465 8MO 0.8600
466 R9Y 0.8593
467 K25 0.8593
468 0W1 0.8590
469 HHR 0.8589
470 5BT 0.8589
471 GHM 0.8587
472 M1Q 0.8585
473 K32 0.8583
474 KFH 0.8577
475 QSH 0.8576
476 7MF 0.8576
477 I7B 0.8575
478 1F1 0.8575
479 SHG 0.8570
480 YSO 0.8566
481 9MG 0.8562
482 97T 0.8561
483 EJZ 0.8557
484 977 0.8556
485 AO6 0.8554
486 O2Y 0.8547
487 39U 0.8546
488 S3C 0.8545
489 3DT 0.8544
490 FDR 0.8541
491 FE DB1 0.8530
492 Q7A 0.8529
493 H4B 0.8527
494 5NI 0.8522
495 TWO 0.8510
496 HQJ 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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