Receptor
PDB id Resolution Class Description Source Keywords
1K4Y 2.5 Å EC: 3.1.1.1 CRYSTAL STRUCTURE OF RABBIT LIVER CARBOXYLESTERASE IN COMPLE PIPERIDINO-PIPERIDINE ORYCTOLAGUS CUNICULUS HYDROLASE ESTERASE SIDE DOOR CAMPTOTHECIN IRINOTECAN
Ref.: STRUCTURAL INSIGHTS INTO CPT-11 ACTIVATION BY MAMMA CARBOXYLESTERASES. NAT.STRUCT.BIOL. V. 9 337 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
4PN A:2001;
 Valid;
 none;
 submit data
168.279 C10 H20 N2 C1CCN...
NAG NAG B:1;
 Part of Protein;
 none;
 submit data
408.404 n/a O=C(N...
NAG NAG MAN MAN MAN C:1;
 Part of Protein;
 none;
 submit data
910.826 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1K4Y 2.5 Å EC: 3.1.1.1 CRYSTAL STRUCTURE OF RABBIT LIVER CARBOXYLESTERASE IN COMPLE PIPERIDINO-PIPERIDINE ORYCTOLAGUS CUNICULUS HYDROLASE ESTERASE SIDE DOOR CAMPTOTHECIN IRINOTECAN
Ref.: STRUCTURAL INSIGHTS INTO CPT-11 ACTIVATION BY MAMMA CARBOXYLESTERASES. NAT.STRUCT.BIOL. V. 9 337 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 1K4Y - 4PN C10 H20 N2 C1CCN(CC1)....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1MX1 - THA C13 H14 N2 c1ccc2c(c1....
2 2H7C - SIA C11 H19 N O9 CC(=O)N[C@....
3 1K4Y - 4PN C10 H20 N2 C1CCN(CC1)....
50% Homology Family (124)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6QAD ic50 = 14 nM HUZ C25 H40 N4 O CCCCN[C@@H....
2 4B0O Ki = 7.3 uM 15F C15 H14 Cl3 N2 O [H]/N=C(/C....
3 6XTA ic50 = 2.8 nM O0Z C30 H42 N4 O CCCCN[C@@H....
4 4B0P Ki = 44 uM MF5 C14 H10 F5 N2 O C[n+]1cccc....
5 6SAM ic50 = 0.0645 uM L3H C21 H25 N2 O2 c1ccc(cc1)....
6 6QAB ic50 = 6.2 nM HUQ C26 H42 N3 O CCCC[N+](C....
7 5NN0 Kd = 11.1 pM 92H C30 H37 N3 O CN(C)CCN(C....
8 6QAE ic50 = 3 nM HUK C26 H45 N3 CCCC[NH+](....
9 6I0B ic50 = 9.1 nM 9A5 C30 H36 Cl N5 O c1ccc2c(c1....
10 6EQQ - H19 C18 H21 Cl N3 c1cc2c(cc1....
11 6R6W Ki = 18 nM JUB C35 H42 N7 O5 S c1ccc(cc1)....
12 6EQP Kd = 1.1 uM BUW C19 H24 N2 S CCN(CC)[C@....
13 5DYW ic50 = 4.9 nM 5HF C26 H32 N2 O3 S COCCN(C[C@....
14 1P0P - BCH C9 H20 N O S CCCC(=O)SC....
15 6R6V Ki = 88 nM JU5 C38 H45 N5 O3 S CCN(CC)c1c....
16 1P0M - CHT C5 H14 N O C[N+](C)(C....
17 6EP4 Ki = 4.5 uM DME C16 H38 N2 C[N+](C)(C....
18 4AQD - GLY C2 H5 N O2 C(C(=O)O)N
19 4BDS Ki = 25 nM THA C13 H14 N2 c1ccc2c(c1....
20 6QAA ic50 = 22 nM HUN C24 H38 N3 O CCCC[NH2+]....
21 5EHQ Ki = 33 pM 5O2 C41 H43 N8 c1ccc(cc1)....
22 1Q84 Ki = 8900 fM TZ4 C42 H45 N8 c1ccc(cc1)....
23 4ARB Kd = 1.3 uM C57 C17 H26 N4 O4 CCN1CCC[C@....
24 4ARA Kd = 0.9 uM C56 C17 H26 N4 O4 CCN1CCC[C@....
25 4B80 ic50 = 40 uM A36 C13 H21 F N2 O2 S CCN(CC)CCN....
26 1N5R Ki = 2.2 uM PRM C27 H34 N4 CC[N+](C)(....
27 5EHZ Ki = 2.3 pM 5NZ C41 H43 N8 c1ccc(cc1)....
28 2HA6 - SCK C14 H30 N2 O4 C[N+](C)(C....
29 2JF0 - HBP C19 H26 N4 O2 c1cc[n+](c....
30 4B82 ic50 = 41 uM B3Z C12 H19 F N2 O2 S CCN(CC)CCN....
31 2GYU - HI6 C14 H16 N4 O3 c1cc[n+](c....
32 4B7Z ic50 = 49 uM Q4Q C14 H24 N2 O2 S CCN(CC)CCN....
33 2WHQ - HI6 C14 H16 N4 O3 c1cc[n+](c....
34 1J07 Ki = 0.021 uM DCU C32 H44 N4 C[N+](C)(C....
35 1N5M - GMN C30 H60 N3 O3 CC[N+](CC)....
36 3ZLV - HI6 C14 H16 N4 O3 c1cc[n+](c....
37 5FOQ - GC8 C20 H22 Cl2 N2 O2 c1cc(ccc1C....
38 2GYW - OBI C14 H16 N4 O3 c1c[n+](cc....
39 5FUM - SOF C25 H33 N3 O2 CCN1CCN(CC....
40 2HA0 Kd = 0.037 mM CHH C8 H18 N O CC(=O)CCC[....
41 5EIE Ki = 23000 pM TZ2 C15 H17 N5 c1ccc2c(c1....
42 4BTL ic50 = 2.5 uM 5GZ C18 H22 Cl N3 O5 S CCN(CC)CCN....
43 4B85 ic50 = 88 uM B3W C12 H19 Cl N2 O2 S CCN(CC)CCN....
44 5FPP Kd = 100 uM HI6 C14 H16 N4 O3 c1cc[n+](c....
45 2HA5 - AT3 C7 H16 N O S CC(=O)SCC[....
46 2GYV - HBP C19 H26 N4 O2 c1cc[n+](c....
47 5OV9 ic50 = 2.2 uM CVI C25 H30 N3 CN(C)c1ccc....
48 2HA2 Kd = 0.022 mM SCK C14 H30 N2 O4 C[N+](C)(C....
49 4B83 - B3V C13 H22 N2 O3 S CCN(CC)CCN....
50 4A23 ic50 = 1.3 uM C56 C17 H26 N4 O4 CCN1CCC[C@....
51 2HA3 Kd = 0.93 mM CHT C5 H14 N O C[N+](C)(C....
52 2WU4 - HBP C19 H26 N4 O2 c1cc[n+](c....
53 1ODC - A8B C30 H36 N4 c1ccc2c(c1....
54 1UT6 - A8N C21 H33 N3 c1ccc2c(c1....
55 6H14 - FW8 C35 H35 N9 O2 c1ccc2c(c1....
56 1EVE ic50 = 5.7 nM E20 C24 H29 N O3 COc1cc2c(c....
57 1H23 Ki = 4.5 nM E12 C30 H46 N4 O2 C1C[C@@H](....
58 1QTI - GNT C17 H21 N O3 C[N@@]1CC[....
59 2C4H - AT3 C7 H16 N O S CC(=O)SCC[....
60 2CEK - N8T C34 H41 N3 S c1ccc2c(c1....
61 2CMF - F11 C31 H36 N4 c1ccc2c(c1....
62 6EZG - C6K C24 H27 Cl N2 O2 COc1c2cc[n....
63 2V97 Ki ~ 20 nM CFQ C13 H19 As F3 N O3 C[As+](C)(....
64 1VOT Ki = 250 nM HUP C15 H18 N2 O C/C=C/1[C@....
65 1GPK Ki = 4.3 uM HUP C15 H18 N2 O C/C=C/1[C@....
66 6H12 - FJK C37 H41 N9 O3 c1cc2c(c(c....
67 2WG1 - FP1 C7 H10 N2 O CN1C=CC=C/....
68 4TVK - TJH C25 H22 Cl N3 O3 c1cc2c(c(c....
69 2VJB - CCD C8 H20 N O C[C@H](CCC....
70 3I6Z - G6X C29 H34 N2 O6 S COc1ccc2c3....
71 2ACK - EDR C10 H16 N O CC[N+](C)(....
72 2XI4 - AFT C17 H12 O6 COc1cc2c(c....
73 5E4T Ki = 40 nM MBT C16 H18 N3 S CN(C)c1ccc....
74 2C58 - ETM C5 H14 N S C[N+](C)(C....
75 2VJC - CHH C8 H18 N O CC(=O)CCC[....
76 6G1W - E0Z C27 H25 Cl N6 O3 COc1cc(ccc....
77 5NAP Ki = 11.12 nM DZ7 C24 H27 N O3 COc1cc2c(c....
78 1H22 Ki = 0.8 nM E10 C28 H42 N4 O2 C1C[C@@H](....
79 5BWC Ki = 0.061 uM HBP C19 H26 N4 O2 c1cc[n+](c....
80 1GQR - SAF C10 H15 N O C[C@@H](c1....
81 1DX6 ic50 = 652 nM GNT C17 H21 N O3 C[N@@]1CC[....
82 2VJD - CCD C8 H20 N O C[C@H](CCC....
83 2V96 Ki = 29 uM CFQ C13 H19 As F3 N O3 C[As+](C)(....
84 5NAU Ki = 29.86 nM DZ0 C23 H25 N O2 COc1ccc2c(....
85 2VJA - CCD C8 H20 N O C[C@H](CCC....
86 1GPN Ki = 0.334 uM HUB C16 H20 N2 O CC1=C[C@H]....
87 6G1U - E1K C14 H16 Cl N2 C[n+]1c2cc....
88 1JJB - PE7 C14 H30 O7 S C(COCCOCCO....
89 6FQN - E2W C23 H27 Cl N4 O2 c1cc2c(cc1....
90 1E66 Ki = 0.13 nM HUX C18 H19 Cl N2 CCC1=C[C@@....
91 1ZGC ic50 = 38.8 nM A2E C32 H44 N4 O c1ccc2c(c1....
92 3I6M - G3X C24 H34 N2 O3 COc1ccc2c3....
93 6FLD - NAG C8 H15 N O6 CC(=O)N[C@....
94 6G1V - E1N C19 H22 Cl N2 CCC1=C[C@@....
95 1ZGB ic50 = 8.8 nM A1E C32 H44 N4 O c1ccc2c(c1....
96 1W4L ic50 = 4 nM GL8 C32 H37 N2 O5 COc1ccc2c3....
97 2C5G - ETM C5 H14 N S C[N+](C)(C....
98 3ZV7 - NHG C11 H14 N2 O C[C@@]12CC....
99 2CKM Kd = 77 fM AA7 C33 H40 N4 c1ccc2c(c1....
100 1W76 ic50 = 702 nM GNT C17 H21 N O3 C[N@@]1CC[....
101 1W6R ic50 = 702 nM GNT C17 H21 N O3 C[N@@]1CC[....
102 1MX1 - THA C13 H14 N2 c1ccc2c(c1....
103 2H7C - SIA C11 H19 N O9 CC(=O)N[C@....
104 1K4Y - 4PN C10 H20 N2 C1CCN(CC1)....
105 4EY5 - HUP C15 H18 N2 O C/C=C/1[C@....
106 6O4X - AA C13 H11 N2 c1ccc2c(c1....
107 4EY7 - E20 C24 H29 N O3 COc1cc2c(c....
108 4M0E Ki = 0.7 uM 1YL C18 H14 O3 Cc1cccc2c1....
109 6O66 - LND C13 H16 N5 O2 c1c[n+](cc....
110 6O50 - EBW C27 H38 N2 O C[N+](C)(C....
111 5HF9 - HI6 C14 H16 N4 O3 c1cc[n+](c....
112 6U34 Ki = 157 uM PQV C10 H19 N3 O2 C1CCCN(CC1....
113 5HFA - FP1 C7 H10 N2 O CN1C=CC=C/....
114 6O5V - LND C13 H16 N5 O2 c1c[n+](cc....
115 4EY6 - GNT C17 H21 N O3 C[N@@]1CC[....
116 6CQY - VX C3 H9 O3 P CCO[P@](=O....
117 6NEA - HLO C15 H17 N5 O4 c1c[n+](cc....
118 4M0F Ki = 1.7 nM 1YK C29 H34 O9 C[C@@]12CC....
119 6CQW Kd = 0.000000064 M HI6 C14 H16 N4 O3 c1cc[n+](c....
120 6O4W - E20 C24 H29 N O3 COc1cc2c(c....
121 6CQU - HI6 C14 H16 N4 O3 c1cc[n+](c....
122 6U37 - PQV C10 H19 N3 O2 C1CCCN(CC1....
123 6ARX - FLC C6 H5 O7 C(C(=O)[O-....
124 6ARY - FLC C6 H5 O7 C(C(=O)[O-....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 4PN; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 4PN 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 4PN; Similar ligands found: 410
No: Ligand Similarity coefficient
1 BNL 1.0000
2 PPY 0.9788
3 PJW 0.9739
4 MPV 0.9694
5 R20 0.9693
6 J9N 0.9691
7 PIM 0.9651
8 NCT 0.9642
9 36Y 0.9597
10 7VP 0.9587
11 CPZ 0.9559
12 M3H 0.9555
13 1A7 0.9554
14 K34 0.9549
15 HNL 0.9542
16 L5V 0.9537
17 HQJ 0.9536
18 PO6 0.9531
19 A29 0.9530
20 M45 0.9526
21 AOT 0.9519
22 RLG 0.9516
23 HNK 0.9508
24 J9Q 0.9491
25 97T 0.9485
26 TT4 0.9474
27 SV4 0.9471
28 BPY 0.9470
29 1L5 0.9468
30 XIZ 0.9453
31 NFA 0.9452
32 APG 0.9447
33 CH9 0.9446
34 SMN 0.9425
35 PHE 0.9423
36 HCI 0.9419
37 HIS 0.9411
38 9RW 0.9410
39 HNH 0.9409
40 1Z6 0.9406
41 DPN 0.9401
42 ENO 0.9398
43 RUY 0.9391
44 EN1 0.9388
45 GVG 0.9386
46 ISZ 0.9376
47 RMN 0.9373
48 TYL 0.9370
49 1BN 0.9368
50 JRB 0.9367
51 CFI 0.9360
52 PIY 0.9358
53 15N 0.9357
54 K7M 0.9351
55 BHO 0.9342
56 J9T 0.9333
57 TYR 0.9330
58 M6H 0.9319
59 4LW 0.9317
60 P58 0.9305
61 R2P 0.9303
62 AKG 0.9287
63 36E 0.9276
64 3QO 0.9273
65 JF6 0.9272
66 NIZ 0.9267
67 OGA 0.9255
68 L13 0.9253
69 TIH 0.9252
70 PHU 0.9238
71 HFA 0.9229
72 A9P 0.9225
73 ICB 0.9222
74 MXD 0.9222
75 173 0.9221
76 6TZ 0.9216
77 C1M 0.9211
78 6FZ 0.9210
79 BZE 0.9209
80 J0Z 0.9208
81 DC5 0.9205
82 0OC 0.9200
83 4HP 0.9199
84 PAC 0.9194
85 GRO 0.9186
86 HDH 0.9185
87 069 0.9183
88 5QY 0.9181
89 P7Y 0.9176
90 HHH 0.9175
91 7QS 0.9161
92 0JD 0.9160
93 DHI 0.9158
94 3QM 0.9157
95 FBM 0.9155
96 URS 0.9154
97 XDK 0.9148
98 QY9 0.9143
99 S2P 0.9142
100 BP3 0.9142
101 56D 0.9133
102 TYE 0.9132
103 M5E 0.9130
104 7Q1 0.9130
105 DTY 0.9127
106 F9P 0.9124
107 2UB 0.9121
108 I1E 0.9119
109 P80 0.9118
110 B40 0.9118
111 FHC 0.9108
112 5VL 0.9108
113 AEG 0.9101
114 3CR 0.9100
115 SAF 0.9100
116 PFF 0.9099
117 GLU 0.9096
118 3C4 0.9093
119 DHB 0.9088
120 GJZ 0.9082
121 I4B 0.9079
122 N9J 0.9078
123 TZM 0.9074
124 NPO 0.9073
125 HSO 0.9073
126 AC6 0.9072
127 F4E 0.9069
128 4LV 0.9066
129 SHI 0.9062
130 1WC 0.9057
131 BNF 0.9056
132 BCU 0.9056
133 KTJ 0.9054
134 LNR 0.9053
135 3LR 0.9050
136 HHI 0.9050
137 2IT 0.9044
138 FK8 0.9043
139 9RH 0.9042
140 NYL 0.9038
141 1XA 0.9037
142 R9S 0.9036
143 K80 0.9035
144 52C 0.9035
145 HL4 0.9035
146 BRH 0.9032
147 A3M 0.9030
148 B2Y 0.9029
149 HIC 0.9028
150 GLN 0.9026
151 PMF 0.9025
152 Q03 0.9019
153 5WZ 0.9017
154 GTK 0.9013
155 B85 0.9002
156 GLO 0.9002
157 PBA 0.8996
158 RA7 0.8995
159 HPS 0.8994
160 46P 0.8994
161 3HP 0.8993
162 DYT 0.8992
163 YPN 0.8990
164 DHY 0.8987
165 PZI 0.8980
166 8OZ 0.8978
167 61M 0.8977
168 C53 0.8977
169 9W5 0.8973
170 OTR 0.8971
171 2HG 0.8971
172 QMP 0.8969
173 LDP 0.8967
174 S2G 0.8963
175 3YP 0.8963
176 PH3 0.8961
177 PRA 0.8961
178 FA1 0.8960
179 YZM 0.8960
180 HA5 0.8960
181 KYN 0.8957
182 A09 0.8955
183 DIR 0.8954
184 7MK 0.8953
185 L99 0.8950
186 CXP 0.8948
187 PHI 0.8948
188 F06 0.8941
189 CLU 0.8934
190 B3U 0.8933
191 DGL 0.8933
192 OHP 0.8930
193 GCO 0.8928
194 4BF 0.8926
195 LSQ 0.8922
196 2C2 0.8922
197 HF2 0.8921
198 M74 0.8918
199 SYC 0.8918
200 0QW 0.8909
201 4VY 0.8909
202 2HC 0.8908
203 QUS 0.8906
204 LFC 0.8905
205 KMH 0.8905
206 CS2 0.8902
207 MES 0.8897
208 4RW 0.8896
209 MUC 0.8896
210 T2D 0.8895
211 SHA 0.8894
212 RJY 0.8893
213 AMS 0.8891
214 DAH 0.8891
215 FEH 0.8890
216 49F 0.8889
217 URO 0.8889
218 CH8 0.8887
219 MMS 0.8884
220 263 0.8882
221 FB2 0.8880
222 54F 0.8879
223 MXN 0.8878
224 TYC 0.8878
225 DAL DAL 0.8875
226 TZL 0.8874
227 R9M 0.8866
228 AMQ 0.8864
229 CCU 0.8863
230 Q02 0.8862
231 SAN 0.8861
232 Q04 0.8860
233 O45 0.8860
234 PPT 0.8859
235 152 0.8859
236 3HG 0.8859
237 SOR 0.8857
238 717 0.8854
239 RAT 0.8853
240 268 0.8853
241 B4O 0.8851
242 41K 0.8850
243 MTL 0.8849
244 R9J 0.8849
245 AHC 0.8848
246 92K 0.8847
247 GWM 0.8847
248 MNN 0.8846
249 FUD 0.8846
250 Q9Z 0.8845
251 MJ5 0.8845
252 IYR 0.8841
253 SOL 0.8840
254 HJH 0.8839
255 23J 0.8838
256 YOF 0.8838
257 FPL 0.8836
258 3PG 0.8835
259 N4B 0.8834
260 ASC 0.8832
261 XYH 0.8827
262 7R4 0.8827
263 TSU 0.8827
264 N2Y 0.8826
265 0A9 0.8826
266 258 0.8826
267 3VW 0.8824
268 SLY 0.8820
269 GGL 0.8820
270 1DJ 0.8820
271 M4T 0.8820
272 GZL 0.8818
273 JVN 0.8817
274 X0V 0.8815
275 GOJ 0.8814
276 S24 0.8810
277 7MU 0.8809
278 LGT 0.8808
279 2FT 0.8808
280 RNS 0.8807
281 PCS 0.8803
282 GBN 0.8801
283 264 0.8799
284 PMB 0.8798
285 YRL 0.8796
286 GLR 0.8795
287 EQW 0.8794
288 JZA 0.8791
289 B09 0.8791
290 XQI 0.8789
291 RBJ 0.8788
292 IZC 0.8788
293 HWD 0.8787
294 DGN 0.8786
295 8GL 0.8782
296 SPA 0.8781
297 TAG 0.8779
298 MEQ 0.8778
299 TLA 0.8777
300 9ON 0.8776
301 SYM 0.8773
302 KTA 0.8771
303 SEP 0.8770
304 OOG 0.8769
305 CIT 0.8769
306 DEW 0.8769
307 FCR 0.8767
308 PBC 0.8766
309 LT1 0.8766
310 KDG 0.8765
311 MAH 0.8765
312 2BX 0.8763
313 8U3 0.8759
314 EDR 0.8755
315 E0O 0.8754
316 DXG 0.8753
317 SDD 0.8752
318 BSA 0.8749
319 6PC 0.8747
320 7N0 0.8745
321 EKZ 0.8744
322 ONL 0.8738
323 AL0 0.8735
324 C5A 0.8734
325 AVI 0.8732
326 PEL 0.8730
327 791 0.8729
328 4FA 0.8727
329 OEG 0.8727
330 FA3 0.8727
331 3BU 0.8727
332 2AL 0.8725
333 FF3 0.8722
334 HG3 0.8719
335 DE3 0.8716
336 OAA 0.8715
337 HPP 0.8714
338 HL5 0.8712
339 IFP 0.8711
340 GZQ 0.8710
341 1X4 0.8708
342 AEF 0.8705
343 CFA 0.8702
344 11C 0.8698
345 DS0 0.8697
346 TAR 0.8697
347 HY1 0.8696
348 AAS 0.8693
349 271 0.8692
350 SRT 0.8692
351 PEP 0.8687
352 YTX 0.8686
353 F90 0.8685
354 M6W 0.8685
355 QBS 0.8680
356 PEA 0.8679
357 XUL 0.8677
358 0OL 0.8677
359 0V5 0.8674
360 49O 0.8674
361 ZXD 0.8673
362 DHS 0.8671
363 FTV 0.8666
364 269 0.8665
365 DQA 0.8663
366 SNE 0.8663
367 5XB 0.8661
368 CXF 0.8657
369 FBS 0.8651
370 DEE 0.8650
371 FBW 0.8649
372 L14 0.8648
373 ZGL 0.8645
374 UN1 0.8645
375 7BC 0.8642
376 S0W 0.8635
377 F16 0.8632
378 7OD 0.8629
379 HIO 0.8629
380 XYL 0.8627
381 PBN 0.8624
382 OKG 0.8621
383 PZA 0.8615
384 PCA 0.8612
385 ZBT 0.8612
386 T9G 0.8609
387 LMR 0.8599
388 OMD 0.8591
389 PEQ 0.8589
390 7A8 0.8588
391 RP5 0.8582
392 QSC 0.8580
393 YCP 0.8579
394 LEU 0.8575
395 QIC 0.8573
396 7UZ 0.8573
397 2PG 0.8570
398 SS2 0.8568
399 COI 0.8566
400 ASP 0.8566
401 EHM 0.8565
402 WS7 0.8559
403 BNS 0.8551
404 XLS 0.8546
405 H4E 0.8536
406 HYA 0.8534
407 TOH 0.8530
408 RSO 0.8522
409 XBT 0.8521
410 HQ9 0.8513
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1K4Y; Ligand: 4PN; 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: 1k4y.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
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