Receptor
PDB id Resolution Class Description Source Keywords
6EUM 1.18 Å EC: 3.5.2.6 CRYSTAL STRUCTURE OF BCII METALLO-BETA-LACTAMASE IN COMPLEX 307 BACILLUS CEREUS ANTIMICROBIAL RESISTANCE METALLO BETA LACTAMASE INHIBITORHYDROLASE
Ref.: STRUCTURE ACTIVITY RELATIONSHIP STUDIES ON RHODANIN DERIVED ENETHIOL INHIBITORS OF METALLO-BETA-LACTAMA BIOORG. MED. CHEM. V. 26 2928 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:305;
A:306;
 Invalid;
Invalid;
 none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:303;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
BY5 A:304;
 Valid;
 none;
 ic50 = 0.3 uM
234.195 C9 H5 F3 O2 S c1cc(...
ZN A:301;
A:302;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4TYT 1.8 Å EC: 3.5.2.6 CRYSTAL STRUCTURE OF BCII METALLO-BETA-LACTAMASE IN COMPLEX ML302F BACILLUS CEREUS ANTIMICROBIAL RESISTANCE METALLO BETA LACTAMASE INHIBITORHYDROLASE
Ref.: RHODANINE HYDROLYSIS LEADS TO POTENT THIOENOLATE ME METALLO-BETA-LACTAMASE INHIBITION. NAT.CHEM. V. 6 1084 2014
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 48 families.
1 6EUM ic50 = 0.3 uM BY5 C9 H5 F3 O2 S c1cc(c(c(c....
2 6EWE ic50 = 3.1 uM C0W C11 H8 O2 S2 c1ccc2c(c1....
3 6F2N ic50 = 0.2 uM CF8 C20 H16 O2 S c1ccc2cc(c....
4 1MQO - CIT C6 H8 O7 C(C(=O)O)C....
5 5FQB ic50 = 0.3 uM OK3 C17 H18 B N2 O6 [B-]1([C@H....
6 4TYT ic50 = 0.02 uM S3C C9 H5 Cl3 O2 S c1cc(c(c(c....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 41 families.
1 6EUM ic50 = 0.3 uM BY5 C9 H5 F3 O2 S c1cc(c(c(c....
2 6EWE ic50 = 3.1 uM C0W C11 H8 O2 S2 c1ccc2c(c1....
3 6F2N ic50 = 0.2 uM CF8 C20 H16 O2 S c1ccc2cc(c....
4 1MQO - CIT C6 H8 O7 C(C(=O)O)C....
5 5FQB ic50 = 0.3 uM OK3 C17 H18 B N2 O6 [B-]1([C@H....
6 4TYT ic50 = 0.02 uM S3C C9 H5 Cl3 O2 S c1cc(c(c(c....
50% Homology Family (108)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 23 families.
1 1HLK Ki = 10 uM 113 C15 H14 O8 C[C@H]1CC2....
2 1KR3 Ki = 10 uM 113 C15 H14 O8 C[C@H]1CC2....
3 6D1H Ki = 190.2 uM KED C10 H10 N O4 P c1ccc2c(c1....
4 6V1M - QNA C10 H9 B F O5 [B-]1([C@@....
5 6OVZ - N9M C9 H9 N O5 c1ccc(cc1)....
6 6D1B Ki = 123.7 uM FUJ C11 H11 O6 P COc1ccc2c(....
7 6LJ6 ic50 = 11.1 uM EFF C10 H18 N2 O2 S C[C@H](CS)....
8 6LJ8 ic50 = 19.8 uM EG0 C11 H19 N O3 S C[C@H](CS)....
9 4RL0 - 3S0 C16 H18 N4 O9 S CO/N=C(/c1....
10 5O2E - 3S0 C16 H18 N4 O9 S CO/N=C(/c1....
11 5YPN - LMP C17 H27 N3 O6 S C[C@H]1[C@....
12 6NY7 - L8J C10 H8 Br2 N O4 P c1c(cc(c2c....
13 6LJ0 ic50 = 6.9 uM EER C10 H17 N O3 S C[C@H](CS)....
14 5YPK - HIW C12 H19 N3 O5 S [H]/N=CNCC....
15 5O2F - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
16 6D1E - XJE C12 H13 O6 P Cc1cc2c(c(....
17 6D1D Ki = 33.8 uM GTV C12 H13 O5 P Cc1cc(c2c(....
18 4RL2 - 3S3 C16 H20 N3 O5 S C[C@@H]1CS....
19 6RMF - K9B C19 H29 B N3 O6 [B-]1([C@H....
20 6EFJ Ki = 477 uM O5E C15 H14 N6 O c1ccc(cc1)....
21 6D1I Ki = 81 uM T6Z C11 H12 N O4 P CN1c2ccccc....
22 5YPI - 8YF C12 H19 N3 O5 S [H]/N=C/NC....
23 5ZGE - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
24 6LJ5 ic50 = 4.9 uM EF0 C10 H17 N O3 S C[C@H](CS)....
25 5ZGR - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
26 6LJ2 ic50 = 4.6 uM EKX C14 H17 N O3 S C[C@H](CS)....
27 6MDU Ki = 56 uM N1G C17 H13 N7 O c1ccc(cc1)....
28 5YPM - 8YL C17 H27 N3 O6 S C[C@@H]1[C....
29 4EYF - PNK C16 H20 N2 O5 S CC1([C@@H]....
30 4EYB - 0WO C19 H21 N3 O6 S Cc1c(c(no1....
31 5ZGQ - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
32 6D1F - P9T C10 H7 F2 O5 P c1c(cc(c2c....
33 6O3R - XJE C12 H13 O6 P Cc1cc2c(c(....
34 6LIZ ic50 = 20.4 uM EEO C11 H19 N O3 S C[C@H](CS)....
35 6LIP ic50 = 75 uM EEL C9 H15 N O3 S2 C1C[C@@H](....
36 6D1A Ki = 44.3 uM TWB C12 H13 O5 P Cc1cc2c(cc....
37 4EYL - 0RV C17 H25 N3 O6 S CC1=C(C(=N....
38 6LJ7 ic50 = 27.9 uM EFR C11 H20 N2 O2 S C[C@H](CS)....
39 6D1K Ki = 741.3 uM M3Q C10 H10 N O3 P c1cc2cccnc....
40 4EY2 - 0RM C17 H22 N2 O7 S CC1([C@@H]....
41 6D1J Ki = 56.2 uM 7SX C12 H14 N O4 P Cc1cc(c2c(....
42 6TGD - N8Q C12 H14 N4 O S c1cc(cnc1)....
43 6LJ4 ic50 = 28.4 uM EF9 C10 H17 N O3 S C[C@H](CS)....
44 6OL8 - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
45 5YPL - HIW C12 H19 N3 O5 S [H]/N=CNCC....
46 6LJ1 ic50 = 4.6 uM EEX C14 H17 N O3 S C[C@H](CS)....
47 6D1C - VKE C11 H9 O7 P c1c2c(cc3c....
48 5ZGP - ZZ7 C16 H21 N3 O5 S CC1([C@@H]....
49 5ZGI - SIN C4 H6 O4 C(CC(=O)O)....
50 6D1G Ki = 34.2 uM YKG C11 H10 Br O5 P Cc1cc2c(c(....
51 5N4T ic50 = 1.06 uM R59 C15 H18 N2 O3 S C[C@H](CS)....
52 6DD0 Ki = 3.3 uM P9T C10 H7 F2 O5 P c1c(cc(c2c....
53 5Y6D ic50 = 54.8 nM 8PL C12 H14 F N O3 S C[C@H](CS)....
54 6RPN ic50 = 0.2 uM KDZ C16 H16 B O5 S [B-]1([C@H....
55 5FQC ic50 = 0.003 uM OK3 C17 H18 B N2 O6 [B-]1([C@H....
56 6TM9 ic50 = 0.23 uM 9NW C16 H21 Cl2 N5 O2 S c1cc(c(cc1....
57 5NI0 ic50 = 1.8 uM 8XW C14 H21 O4 P S CC(=O)SC[C....
58 5NHZ ic50 = 4.7 uM 8XZ C13 H19 O4 P S CC(=O)SC[C....
59 6JN6 Ki = 0.07 uM BY0 C14 H18 B N O4 S B([C@@H](C....
60 2WHG - FLC C6 H5 O7 C(C(=O)[O-....
61 5LCA ic50 = 32.8 uM B06 C16 H10 F3 N O3 c1cc(cc(c1....
62 6EW3 ic50 = 0.04 uM S3C C9 H5 Cl3 O2 S c1cc(c(c(c....
63 6O5T Ki = 0.316 uM L8J C10 H8 Br2 N O4 P c1c(cc(c2c....
64 5LSC ic50 = 20 uM 752 C18 H13 N5 O3 S2 c1ccc(c(c1....
65 6HF5 ic50 = 6.7 uM G1N C9 H7 N3 O4 S2 c1cc(cnc1)....
66 5ACW Kd = 145 uM RHU C4 H4 F3 N3 S Cn1c(nnc1S....
67 5LM6 ic50 = 7.7 uM H32 C15 H10 F N O4 c1cc2c(c(c....
68 6TGI Ki = 41 uM N8Z C9 H12 Cl N5 S CCn1c(nnc1....
69 5Y6E ic50 = 13.7 nM 8PO C12 H15 N O4 S C[C@H](CS)....
70 5MXR ic50 = 6.2 uM JTY C10 H8 N2 O4 S2 c1ccc(cc1)....
71 6SP7 ic50 = 0.026 uM K9B C19 H29 B N3 O6 [B-]1([C@H....
72 5LCH ic50 = 20.3 uM 6TU C19 H17 N O4 COc1cccc(c....
73 5MXQ ic50 = 1.9 uM U8K C12 H10 N2 O4 S c1ccc(cc1)....
74 6J8R Ki = 0.76 uM BHU C5 H12 B N O3 S B(CNC(=O)[....
75 2YZ3 Ki = 220 nM M5P C12 H16 O2 S c1ccc(cc1)....
76 5MM9 ic50 = 0.38 uM 8SH C15 H25 O3 P S CCOP(=O)([....
77 6YRP Kd = 389 nM PJB C17 H16 N4 O4 S COc1ccc(c(....
78 6DD1 Ki = 22.3 uM M3Q C10 H10 N O3 P c1cc2cccnc....
79 6ZGM - QKK C12 H11 F2 N7 O5 S2 [H]/N=C(N)....
80 5ACX Kd = 9 uM WL3 C14 H9 F O3 c1ccc(c(c1....
81 5LCF ic50 = 17.8 uM 6TJ C15 H11 N O3 c1ccc(cc1)....
82 5N4S ic50 = 0.055 uM R38 C15 H18 N2 O3 S C[C@H](CS)....
83 6V1P - QNA C10 H9 B F O5 [B-]1([C@@....
84 6EUM ic50 = 0.3 uM BY5 C9 H5 F3 O2 S c1cc(c(c(c....
85 6EWE ic50 = 3.1 uM C0W C11 H8 O2 S2 c1ccc2c(c1....
86 6F2N ic50 = 0.2 uM CF8 C20 H16 O2 S c1ccc2cc(c....
87 1MQO - CIT C6 H8 O7 C(C(=O)O)C....
88 5FQB ic50 = 0.3 uM OK3 C17 H18 B N2 O6 [B-]1([C@H....
89 4TYT ic50 = 0.02 uM S3C C9 H5 Cl3 O2 S c1cc(c(c(c....
90 5N55 Kd = 1.03 uM 8NN C21 H16 Cl N3 O4 c1ccc2c(c1....
91 5N58 Kd = 0.8 uM 93W C21 H16 Cl N3 O4 c1ccc2c(c1....
92 5LE1 ic50 = 10.6 uM 6UW C16 H11 Cl F N O3 c1cc2c(c(c....
93 6TMC ic50 = 0.53 uM NL5 C14 H19 N3 O3 S CC(C)OCc1c....
94 6R73 - LMP C17 H27 N3 O6 S C[C@H]1[C@....
95 6RZR - 8YF C12 H19 N3 O5 S [H]/N=C/NC....
96 6RZS - LHT C22 H27 N3 O8 S C[C@@H]1[C....
97 5NDB - 8TW C7 H8 Cl2 O4 S C1=S[C@H]2....
98 1JJT ic50 = 0.009 uM BDS C20 H18 O8 c1cc2c(cc1....
99 5EV8 - 3R9 C7 H11 N O2 S3 C1[C@@H](N....
100 3WXC - C93 C13 H15 N O5 c1cc(c(c(c....
101 2DOO Kd = 67 nM C4H C19 H27 N3 O3 S2 CN(C)c1ccc....
102 4F6Z - FLC C6 H5 O7 C(C(=O)[O-....
103 1DD6 - MCI C19 H19 N5 O3 S2 c1ccc(cc1)....
104 5EWA Ki = 15 uM 9BZ C9 H15 N O2 S3 CC1([C@H](....
105 1JJE ic50 = 0.0037 uM BYS C19 H18 O6 c1ccc(cc1)....
106 4UAM - FLC C6 H5 O7 C(C(=O)[O-....
107 4EXS Ki = 39 uM X8Z C9 H15 N O3 S C[C@H](CS)....
108 1M2X Ki ~ 85 uM MCO C9 H15 N O3 S C[C@H](CS)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BY5; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 BY5 1 1
2 S3C 0.4 0.916667
Similar Ligands (3D)
Ligand no: 1; Ligand: BY5; Similar ligands found: 453
No: Ligand Similarity coefficient
1 CLU 0.9432
2 TRP 0.9387
3 DTR 0.9337
4 505 0.9334
5 C0W 0.9321
6 FTV 0.9308
7 F5C 0.9288
8 BPY 0.9279
9 RVE 0.9272
10 MMS 0.9258
11 4Z9 0.9256
12 B4O 0.9246
13 S0G 0.9244
14 3IL 0.9238
15 PW1 0.9222
16 NCV 0.9219
17 2HC 0.9218
18 FWD 0.9216
19 GXG 0.9215
20 F52 0.9203
21 CPW 0.9193
22 HJH 0.9191
23 X04 0.9178
24 DAH 0.9177
25 CMU 0.9173
26 GZV 0.9167
27 BP3 0.9167
28 M5H 0.9166
29 DC5 0.9146
30 CCV 0.9143
31 S7B 0.9134
32 54X 0.9132
33 SLY 0.9125
34 L13 0.9119
35 6HP 0.9117
36 HPT 0.9117
37 F06 0.9116
38 2LT 0.9115
39 96Z 0.9110
40 6J9 0.9108
41 AMQ 0.9105
42 LTN 0.9105
43 CFA 0.9102
44 XFE 0.9099
45 CGW 0.9098
46 B2Y 0.9096
47 TSR 0.9095
48 9UL 0.9091
49 IOP 0.9078
50 CWD 0.9077
51 61M 0.9077
52 6HX 0.9076
53 3Y7 0.9075
54 LL1 0.9073
55 PVK 0.9071
56 TYR 0.9060
57 ONR 0.9060
58 ZME 0.9052
59 IWD 0.9049
60 22L 0.9046
61 9BF 0.9040
62 OUB 0.9039
63 1A7 0.9039
64 67Y 0.9039
65 STT 0.9036
66 P7Y 0.9034
67 89J 0.9034
68 DHC 0.9031
69 3B4 0.9030
70 PMP 0.9030
71 IOS 0.9026
72 P80 0.9025
73 IYR 0.9024
74 5OO 0.9024
75 57O 0.9021
76 S2P 0.9018
77 BRH 0.9016
78 AY4 0.9016
79 78U 0.9015
80 L21 0.9015
81 BWD 0.9011
82 G6P 0.9010
83 PHE 0.9009
84 PVQ 0.9006
85 AM1 0.9004
86 SBK 0.9003
87 PLP 0.9000
88 PXP 0.9000
89 QMS 0.8997
90 9GP 0.8994
91 0F9 0.8993
92 NAG 0.8989
93 AMR 0.8986
94 TB8 0.8986
95 2JM 0.8984
96 PFF 0.8984
97 SV4 0.8979
98 DTY 0.8977
99 HFA 0.8974
100 2CZ 0.8974
101 MQB 0.8973
102 TU0 0.8972
103 CH9 0.8969
104 DPN 0.8969
105 NIY 0.8967
106 XDK 0.8964
107 O2Y 0.8962
108 977 0.8960
109 PLR 0.8954
110 N3W 0.8951
111 TT4 0.8948
112 BP6 0.8948
113 M3Q 0.8948
114 8NX 0.8945
115 ASC 0.8943
116 LIP 0.8942
117 PLP PMP 0.8940
118 49O 0.8930
119 IBM 0.8929
120 IAC 0.8926
121 NLA 0.8924
122 JRB 0.8924
123 F69 0.8922
124 4BF 0.8916
125 CR1 0.8915
126 ARP 0.8914
127 9F8 0.8912
128 SQ4 0.8911
129 6Q3 0.8905
130 363 0.8903
131 6DP 0.8903
132 4GP 0.8901
133 MUR 0.8899
134 HWD 0.8897
135 S3B 0.8895
136 PHI 0.8895
137 OX2 0.8894
138 NFA 0.8892
139 KG1 0.8890
140 AOT 0.8888
141 A1Y 0.8886
142 K3Q 0.8886
143 NFM 0.8883
144 14W 0.8882
145 3VW 0.8881
146 2GQ 0.8880
147 NVU 0.8880
148 FER 0.8879
149 512 0.8877
150 5E4 0.8872
151 LAO 0.8868
152 ZON 0.8865
153 790 0.8861
154 LSQ 0.8861
155 PYU 0.8860
156 4WF 0.8858
157 QZ8 0.8857
158 8MP 0.8857
159 IBC 0.8855
160 CTE 0.8853
161 CUT 0.8852
162 TSS 0.8851
163 TOH 0.8851
164 N7I 0.8849
165 JXK 0.8849
166 MPK 0.8847
167 1XA 0.8845
168 CE2 0.8844
169 CK2 0.8842
170 N8Z 0.8838
171 NBG 0.8838
172 ENO 0.8837
173 X48 0.8836
174 9KH 0.8836
175 X6P 0.8835
176 B2T 0.8835
177 92P 0.8829
178 2LX 0.8828
179 F1X 0.8828
180 KP2 0.8828
181 EMZ 0.8826
182 BK9 0.8826
183 GDL 0.8821
184 NPL 0.8821
185 JTH 0.8821
186 5OF 0.8820
187 NDG 0.8820
188 BP7 0.8819
189 P0P 0.8818
190 M4E 0.8818
191 7Q1 0.8818
192 AX3 0.8816
193 5WN 0.8816
194 KYN 0.8815
195 V1T 0.8813
196 AKD 0.8812
197 6TZ 0.8812
198 1CY 0.8810
199 MIL 0.8810
200 JYT 0.8810
201 TYC 0.8809
202 AVA 0.8807
203 AJD 0.8806
204 2KU 0.8806
205 VM1 0.8804
206 3JM 0.8804
207 2CL 0.8803
208 I4D 0.8802
209 4R1 0.8801
210 8GK 0.8799
211 PPY 0.8795
212 R20 0.8793
213 CP7 0.8793
214 52C 0.8792
215 NTF 0.8791
216 IPT 0.8791
217 JP2 0.8791
218 BQ5 0.8789
219 GJK 0.8787
220 SQP 0.8787
221 TMG 0.8786
222 ALE 0.8786
223 IPD 0.8785
224 CKA 0.8785
225 FNA 0.8785
226 2JK 0.8784
227 N2M 0.8783
228 7QS 0.8781
229 BNL 0.8781
230 A6H 0.8779
231 MXD 0.8778
232 5V7 0.8778
233 U1K 0.8777
234 N1E 0.8776
235 CK1 0.8776
236 HQJ 0.8775
237 UFO 0.8775
238 96R 0.8774
239 K3Y 0.8772
240 KYA 0.8772
241 12T 0.8771
242 M6P 0.8769
243 DXK 0.8768
244 CC5 0.8767
245 EQA 0.8765
246 SIZ 0.8765
247 C0H 0.8765
248 BCK 0.8763
249 BG6 0.8761
250 M4B 0.8760
251 1Z8 0.8759
252 KWB 0.8756
253 PRZ 0.8755
254 A9O 0.8755
255 SG2 0.8752
256 0W1 0.8751
257 FF2 0.8751
258 A9P 0.8750
259 YTX 0.8750
260 0JD 0.8749
261 16Z 0.8749
262 61O 0.8745
263 GLP 0.8744
264 0FK 0.8744
265 HIC 0.8743
266 GXD 0.8741
267 HNK 0.8740
268 A5P 0.8739
269 SRO 0.8738
270 D6G 0.8738
271 7MX 0.8736
272 FPL 0.8735
273 BQ2 0.8734
274 SHI 0.8732
275 K7M 0.8732
276 AIN 0.8731
277 G1P 0.8731
278 4ME 0.8730
279 THM 0.8726
280 CG8 0.8724
281 C2Y 0.8723
282 25O 0.8718
283 1QV 0.8715
284 CIY 0.8715
285 EV3 0.8714
286 MD6 0.8711
287 CP6 0.8711
288 LYL 0.8711
289 GC2 0.8710
290 NPA 0.8710
291 KTW 0.8709
292 OSB 0.8709
293 NBV 0.8708
294 5VL 0.8708
295 GI3 0.8708
296 EXD 0.8708
297 3C4 0.8708
298 CH8 0.8707
299 5F8 0.8706
300 5AD 0.8706
301 GJP 0.8705
302 GO2 0.8705
303 AUV 0.8704
304 6HO 0.8704
305 50C 0.8704
306 NWD 0.8703
307 LJ3 0.8701
308 GT0 0.8700
309 PO6 0.8698
310 0OL 0.8698
311 TZM 0.8695
312 A2G 0.8694
313 5FL 0.8694
314 DNA 0.8693
315 A6P 0.8693
316 54F 0.8692
317 3LJ 0.8692
318 55D 0.8691
319 MJ5 0.8690
320 9FH 0.8690
321 1VK 0.8688
322 I2E 0.8687
323 H35 0.8686
324 6J5 0.8684
325 HSX 0.8683
326 JR2 0.8682
327 C82 0.8681
328 TYE 0.8681
329 BGN 0.8677
330 TLM 0.8676
331 J9Q 0.8675
332 5F5 0.8675
333 GF4 0.8675
334 H4B 0.8675
335 9ZE 0.8674
336 5B2 0.8671
337 NAL 0.8671
338 KP6 0.8670
339 DI6 0.8670
340 STZ 0.8669
341 R9Y 0.8669
342 M6Z 0.8668
343 5GT 0.8664
344 8W9 0.8662
345 2O6 0.8661
346 TCA 0.8660
347 OA3 0.8659
348 YX1 0.8659
349 AC2 0.8658
350 H7S 0.8658
351 4MP 0.8657
352 5P3 0.8657
353 8VR 0.8657
354 K97 0.8656
355 CKX 0.8656
356 QM1 0.8656
357 1U7 0.8656
358 HL4 0.8652
359 0QW 0.8651
360 JY2 0.8651
361 7L4 0.8650
362 TQU 0.8649
363 15N 0.8647
364 3VX 0.8647
365 HNL 0.8647
366 HA5 0.8646
367 BGP 0.8646
368 9H2 0.8645
369 HPP 0.8644
370 428 0.8644
371 MFZ 0.8641
372 FMQ 0.8640
373 HNH 0.8637
374 49N 0.8636
375 GFE 0.8635
376 X0T 0.8633
377 4XF 0.8633
378 SYA 0.8632
379 1FF 0.8630
380 KMY 0.8630
381 4NO 0.8629
382 DHY 0.8628
383 2UD 0.8626
384 AZY 0.8625
385 GI1 0.8625
386 NLQ 0.8624
387 TL6 0.8623
388 XIZ 0.8622
389 ZYQ 0.8622
390 68A 0.8622
391 APS 0.8622
392 EVO 0.8621
393 56N 0.8617
394 XIF XYP 0.8615
395 SOV 0.8615
396 3TC 0.8610
397 HHT 0.8609
398 XYP XIF 0.8609
399 JXT 0.8609
400 JCZ 0.8608
401 97T 0.8607
402 DJN 0.8607
403 2K8 0.8606
404 PH2 0.8606
405 AYS 0.8606
406 6VD 0.8604
407 ESP 0.8602
408 AEH 0.8597
409 QIF 0.8596
410 JF1 0.8595
411 VXX 0.8595
412 LDP 0.8594
413 KLK 0.8592
414 HBO 0.8591
415 5UD 0.8590
416 SKF 0.8590
417 HHS 0.8589
418 L5V 0.8589
419 LEL 0.8587
420 DDU 0.8585
421 4K2 0.8585
422 F40 0.8584
423 CXH 0.8584
424 MW5 0.8584
425 SAF 0.8583
426 F6P 0.8582
427 I59 0.8581
428 JD7 0.8581
429 4XV 0.8580
430 9FE 0.8577
431 R9S 0.8575
432 H7Y 0.8574
433 NGA 0.8571
434 NOK 0.8570
435 1L5 0.8569
436 T2D 0.8565
437 EQW 0.8563
438 1WC 0.8562
439 4Z3 0.8560
440 92O 0.8559
441 ALX 0.8558
442 N91 0.8558
443 6FZ 0.8551
444 QUB 0.8551
445 60Q 0.8549
446 N9J 0.8548
447 PJW 0.8547
448 4I8 0.8543
449 JF2 0.8541
450 A4N 0.8539
451 MQG 0.8530
452 TYL 0.8513
453 CX4 0.8501
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4TYT; Ligand: S3C; 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: 4tyt.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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