Receptor
PDB id Resolution Class Description Source Keywords
5AB9 1.36 Å NON-ENZYME: BINDING STRUCTURE OF THE P53 CANCER MUTANT Y220C WITH BOUND SMALL MO ETHYL-3-(PIPERIDIN-4-YL)-1H-INDOLE HOMO SAPIENS TRANSCRIPTION CANCER TUMOR SUPPRESSION DNA BINDING CANCETHERAPY SMALL-MOLECULE STABILIZERS MOLECULAR CHAPERONE
Ref.: EXPLOITING TRANSIENT PROTEIN STATES FOR THE DESIGN SMALL-MOLECULE STABILIZERS OF MUTANT P53. STRUCTURE V. 23 2246 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
92O A:1292;
B:1292;
B:1293;
A:1293;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
Atoms found LESS than expected: % Diff = 0.294;
 Kd = 470 uM
228.333 C15 H20 N2 CCc1c...
ZN B:313;
A:313;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
PEG A:1291;
 Invalid;
 none;
 submit data
106.12 C4 H10 O3 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6SI3 1.4 Å NON-ENZYME: BINDING P53 CANCER MUTANT Y220S IN COMPLEX WITH SMALL-MOLECULE STABI PK9301 HOMO SAPIENS P53 TRANSCRIPTION FACTOR TUMOR SUPPRESSOR CANCER THERAPYONCOGENIC MUTANT PROTEIN MISFOLDING DNA-BINDING DOMAIN DSURFACE CREVICE SMALL-MOLECULE STABILIZER MUTANT P53 RESCBINDING PROTEIN
Ref.: TARGETING CAVITY-CREATING P53 CANCER MUTATIONS WITH SMALL-MOLECULE STABILIZERS: THE Y220X PARADIGM. ACS CHEM.BIOL. V. 15 657 2020
Members (40)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 2X0W - X0W C10 H11 N O2 S Cc1nc2cc(c....
2 4AGM Kd = 105 uM P86 C16 H24 I2 N2 O CCN(CC)C1C....
3 5AB9 Kd = 470 uM 92O C15 H20 N2 CCc1cccc2c....
4 6GGE - EYE C21 H23 N2 S CCn1c2ccc(....
5 2X0V - X0V C7 H7 F3 N2 c1cc(c(cc1....
6 5O1A Kd = 30 uM 9H5 C16 H17 I2 N3 O2 CN1CCN(CC1....
7 5G4O Kd = 37.2 uM O80 C17 H17 F3 N2 CN(C)Cc1cc....
8 5O1F Kd = 30 uM 9GQ C15 H16 I N O4 CCCCOc1cc(....
9 5AOJ Kd = 21 uM Y0V C11 H7 I2 N O3 c1ccn(c1)c....
10 6GGF - EXQ C21 H23 N2 S CCn1c2ccc(....
11 5O1G Kd = 116 uM 9GK C19 H16 I N O4 c1ccc(cc1)....
12 5O1I Kd = 4 uM 9GH C16 H16 I N3 O3 S CCN(CC)c1n....
13 5AOL Kd = 4800 uM UFV C7 H6 Br F3 N2 c1c(cc(c(c....
14 6GGC - EXN C20 H21 N2 O CCn1c2ccc(....
15 5AOI Kd = 940 uM RZH C13 H17 Br N2 CCc1cc(cc2....
16 5O1D Kd = 22 uM 9GW C14 H14 I N O4 CCCOc1cc(c....
17 4AGP Kd = 20.6 uM P51 C25 H31 I N2 O2 CCN(CC)C1C....
18 6SI4 Kd = 5.9 uM LEK C19 H19 N3 S CCn1c2ccc(....
19 3ZME - QC5 C17 H19 F N4 CN(C)CCn1c....
20 5AOK - GOH C11 H10 N6 O c1ccn(c1)c....
21 6SI3 Kd = 4 uM LEB C16 H14 Br F3 N2 CNCc1ccc2c....
22 5A7B Kd = 271 uM KMN C27 H32 N2 O2 CCN(CC)C1C....
23 5ABA Kd = 1040 uM UL7 C17 H24 Br Cl N2 O2 c1c(cc(c(c....
24 6GGD - EYB C19 H20 N3 O CCn1c2ccc(....
25 2VUK Kd = 125 uM P83 C16 H18 N2 CCn1c2cccc....
26 4AGQ Kd = 9.7 uM P96 C25 H32 I N3 O CCN(CC)C1C....
27 5O1E Kd = 33 uM 9GT C14 H12 I N O4 C=CCOc1cc(....
28 4AGN Kd = 107 uM NXG C19 H27 I N2 O2 CCN(CC)C1C....
29 6GGA - EY2 C16 H18 Br N2 CCn1c2ccc(....
30 5O1B Kd = 20 uM 9H2 C11 H9 I2 N O2 c1ccn(c1)c....
31 5AOM Kd = 1270 uM FY8 C12 H15 Cl N2 O2 c1cc(c(cc1....
32 2X0U - X0U C9 H8 N2 O2 S c1c2c(cc3c....
33 4AGO Kd = 15.5 uM P74 C24 H36 I N3 O3 CCN(CC)C1C....
34 5O1C Kd = 113 uM 9GZ C17 H11 F I N O3 c1ccn(c1)c....
35 5G4N Kd = 101 uM O83 C16 H16 F2 N2 CNCc1ccc2c....
36 6GGB - EXQ C21 H23 N2 S CCn1c2ccc(....
37 5O1H Kd = 14 uM 9GN C14 H14 I N O3 S CCCSc1cc(c....
38 4AGL Kd = 225 uM P84 C14 H20 I2 N2 O CN1CCC(CC1....
39 6SI0 Kd = 5.3 uM LEK C19 H19 N3 S CCn1c2ccc(....
40 5G4M Kd = 138 uM O82 C16 H17 F N2 CNCc1ccc2c....
70% Homology Family (40)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 2X0W - X0W C10 H11 N O2 S Cc1nc2cc(c....
2 4AGM Kd = 105 uM P86 C16 H24 I2 N2 O CCN(CC)C1C....
3 5AB9 Kd = 470 uM 92O C15 H20 N2 CCc1cccc2c....
4 6GGE - EYE C21 H23 N2 S CCn1c2ccc(....
5 2X0V - X0V C7 H7 F3 N2 c1cc(c(cc1....
6 5O1A Kd = 30 uM 9H5 C16 H17 I2 N3 O2 CN1CCN(CC1....
7 5G4O Kd = 37.2 uM O80 C17 H17 F3 N2 CN(C)Cc1cc....
8 5O1F Kd = 30 uM 9GQ C15 H16 I N O4 CCCCOc1cc(....
9 5AOJ Kd = 21 uM Y0V C11 H7 I2 N O3 c1ccn(c1)c....
10 6GGF - EXQ C21 H23 N2 S CCn1c2ccc(....
11 5O1G Kd = 116 uM 9GK C19 H16 I N O4 c1ccc(cc1)....
12 5O1I Kd = 4 uM 9GH C16 H16 I N3 O3 S CCN(CC)c1n....
13 5AOL Kd = 4800 uM UFV C7 H6 Br F3 N2 c1c(cc(c(c....
14 6GGC - EXN C20 H21 N2 O CCn1c2ccc(....
15 5AOI Kd = 940 uM RZH C13 H17 Br N2 CCc1cc(cc2....
16 5O1D Kd = 22 uM 9GW C14 H14 I N O4 CCCOc1cc(c....
17 4AGP Kd = 20.6 uM P51 C25 H31 I N2 O2 CCN(CC)C1C....
18 6SI4 Kd = 5.9 uM LEK C19 H19 N3 S CCn1c2ccc(....
19 3ZME - QC5 C17 H19 F N4 CN(C)CCn1c....
20 5AOK - GOH C11 H10 N6 O c1ccn(c1)c....
21 6SI3 Kd = 4 uM LEB C16 H14 Br F3 N2 CNCc1ccc2c....
22 5A7B Kd = 271 uM KMN C27 H32 N2 O2 CCN(CC)C1C....
23 5ABA Kd = 1040 uM UL7 C17 H24 Br Cl N2 O2 c1c(cc(c(c....
24 6GGD - EYB C19 H20 N3 O CCn1c2ccc(....
25 2VUK Kd = 125 uM P83 C16 H18 N2 CCn1c2cccc....
26 4AGQ Kd = 9.7 uM P96 C25 H32 I N3 O CCN(CC)C1C....
27 5O1E Kd = 33 uM 9GT C14 H12 I N O4 C=CCOc1cc(....
28 4AGN Kd = 107 uM NXG C19 H27 I N2 O2 CCN(CC)C1C....
29 6GGA - EY2 C16 H18 Br N2 CCn1c2ccc(....
30 5O1B Kd = 20 uM 9H2 C11 H9 I2 N O2 c1ccn(c1)c....
31 5AOM Kd = 1270 uM FY8 C12 H15 Cl N2 O2 c1cc(c(cc1....
32 2X0U - X0U C9 H8 N2 O2 S c1c2c(cc3c....
33 4AGO Kd = 15.5 uM P74 C24 H36 I N3 O3 CCN(CC)C1C....
34 5O1C Kd = 113 uM 9GZ C17 H11 F I N O3 c1ccn(c1)c....
35 5G4N Kd = 101 uM O83 C16 H16 F2 N2 CNCc1ccc2c....
36 6GGB - EXQ C21 H23 N2 S CCn1c2ccc(....
37 5O1H Kd = 14 uM 9GN C14 H14 I N O3 S CCCSc1cc(c....
38 4AGL Kd = 225 uM P84 C14 H20 I2 N2 O CN1CCC(CC1....
39 6SI0 Kd = 5.3 uM LEK C19 H19 N3 S CCn1c2ccc(....
40 5G4M Kd = 138 uM O82 C16 H17 F N2 CNCc1ccc2c....
50% Homology Family (40)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 2X0W - X0W C10 H11 N O2 S Cc1nc2cc(c....
2 4AGM Kd = 105 uM P86 C16 H24 I2 N2 O CCN(CC)C1C....
3 5AB9 Kd = 470 uM 92O C15 H20 N2 CCc1cccc2c....
4 6GGE - EYE C21 H23 N2 S CCn1c2ccc(....
5 2X0V - X0V C7 H7 F3 N2 c1cc(c(cc1....
6 5O1A Kd = 30 uM 9H5 C16 H17 I2 N3 O2 CN1CCN(CC1....
7 5G4O Kd = 37.2 uM O80 C17 H17 F3 N2 CN(C)Cc1cc....
8 5O1F Kd = 30 uM 9GQ C15 H16 I N O4 CCCCOc1cc(....
9 5AOJ Kd = 21 uM Y0V C11 H7 I2 N O3 c1ccn(c1)c....
10 6GGF - EXQ C21 H23 N2 S CCn1c2ccc(....
11 5O1G Kd = 116 uM 9GK C19 H16 I N O4 c1ccc(cc1)....
12 5O1I Kd = 4 uM 9GH C16 H16 I N3 O3 S CCN(CC)c1n....
13 5AOL Kd = 4800 uM UFV C7 H6 Br F3 N2 c1c(cc(c(c....
14 6GGC - EXN C20 H21 N2 O CCn1c2ccc(....
15 5AOI Kd = 940 uM RZH C13 H17 Br N2 CCc1cc(cc2....
16 5O1D Kd = 22 uM 9GW C14 H14 I N O4 CCCOc1cc(c....
17 4AGP Kd = 20.6 uM P51 C25 H31 I N2 O2 CCN(CC)C1C....
18 6SI4 Kd = 5.9 uM LEK C19 H19 N3 S CCn1c2ccc(....
19 3ZME - QC5 C17 H19 F N4 CN(C)CCn1c....
20 5AOK - GOH C11 H10 N6 O c1ccn(c1)c....
21 6SI3 Kd = 4 uM LEB C16 H14 Br F3 N2 CNCc1ccc2c....
22 5A7B Kd = 271 uM KMN C27 H32 N2 O2 CCN(CC)C1C....
23 5ABA Kd = 1040 uM UL7 C17 H24 Br Cl N2 O2 c1c(cc(c(c....
24 6GGD - EYB C19 H20 N3 O CCn1c2ccc(....
25 2VUK Kd = 125 uM P83 C16 H18 N2 CCn1c2cccc....
26 4AGQ Kd = 9.7 uM P96 C25 H32 I N3 O CCN(CC)C1C....
27 5O1E Kd = 33 uM 9GT C14 H12 I N O4 C=CCOc1cc(....
28 4AGN Kd = 107 uM NXG C19 H27 I N2 O2 CCN(CC)C1C....
29 6GGA - EY2 C16 H18 Br N2 CCn1c2ccc(....
30 5O1B Kd = 20 uM 9H2 C11 H9 I2 N O2 c1ccn(c1)c....
31 5AOM Kd = 1270 uM FY8 C12 H15 Cl N2 O2 c1cc(c(cc1....
32 2X0U - X0U C9 H8 N2 O2 S c1c2c(cc3c....
33 4AGO Kd = 15.5 uM P74 C24 H36 I N3 O3 CCN(CC)C1C....
34 5O1C Kd = 113 uM 9GZ C17 H11 F I N O3 c1ccn(c1)c....
35 5G4N Kd = 101 uM O83 C16 H16 F2 N2 CNCc1ccc2c....
36 6GGB - EXQ C21 H23 N2 S CCn1c2ccc(....
37 5O1H Kd = 14 uM 9GN C14 H14 I N O3 S CCCSc1cc(c....
38 4AGL Kd = 225 uM P84 C14 H20 I2 N2 O CN1CCC(CC1....
39 6SI0 Kd = 5.3 uM LEK C19 H19 N3 S CCn1c2ccc(....
40 5G4M Kd = 138 uM O82 C16 H17 F N2 CNCc1ccc2c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 92O; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 92O 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 92O; Similar ligands found: 754
No: Ligand Similarity coefficient
1 KF5 0.9665
2 0OO 0.9467
3 FYR 0.9446
4 CTE 0.9427
5 CC5 0.9422
6 5AD 0.9420
7 7AP 0.9387
8 H4B 0.9366
9 BIO 0.9361
10 CG 0.9351
11 H2B 0.9340
12 22L 0.9330
13 HBI 0.9325
14 CUH 0.9304
15 AP6 0.9273
16 9FH 0.9272
17 B5A 0.9249
18 KP2 0.9246
19 4AB 0.9246
20 AC2 0.9242
21 0OK 0.9235
22 KWB 0.9231
23 S0G 0.9229
24 0SY 0.9224
25 3Y7 0.9221
26 E6Q 0.9221
27 GZV 0.9217
28 5V7 0.9208
29 MPU 0.9208
30 DTE 0.9201
31 XIF XYP 0.9200
32 8D6 0.9190
33 LL1 0.9189
34 2QU 0.9186
35 3D1 0.9185
36 5F1 0.9183
37 1ZC 0.9179
38 1Q4 0.9178
39 7EH 0.9177
40 BHS 0.9173
41 3L1 0.9163
42 ZSP 0.9160
43 ADN 0.9155
44 OA4 0.9154
45 536 0.9153
46 M2E 0.9147
47 TRP 0.9146
48 NPS 0.9146
49 GNG 0.9142
50 MUK 0.9136
51 4NR 0.9135
52 IQW 0.9131
53 T1N 0.9131
54 A7Q 0.9129
55 BGN 0.9129
56 AX4 0.9128
57 9UL 0.9126
58 CX6 0.9118
59 5E5 0.9110
60 ARJ 0.9110
61 PRH 0.9109
62 DX2 0.9108
63 3D8 0.9107
64 JY2 0.9107
65 LJ4 0.9105
66 M5H 0.9103
67 BP7 0.9096
68 F40 0.9095
69 NEU 0.9094
70 NOC 0.9090
71 AU8 0.9088
72 DXK 0.9087
73 5B2 0.9087
74 X48 0.9086
75 NEO 0.9081
76 A4V 0.9077
77 XYP XIF 0.9073
78 MTP 0.9069
79 STZ 0.9068
80 YX1 0.9068
81 PE2 0.9068
82 IMH 0.9065
83 RKN 0.9064
84 2QV 0.9064
85 MPP 0.9063
86 LTN 0.9063
87 P4L 0.9061
88 HPR 0.9060
89 TBN 0.9060
90 YE6 0.9059
91 RSV 0.9058
92 7EL 0.9058
93 1DA 0.9055
94 NOS 0.9054
95 A9B 0.9052
96 0FR 0.9051
97 EV2 0.9051
98 CL9 0.9048
99 FMB 0.9048
100 C4E 0.9047
101 5I5 0.9044
102 4FE 0.9043
103 Q0K 0.9042
104 6DQ 0.9041
105 RCV 0.9040
106 5CD 0.9038
107 0J4 0.9036
108 GEN 0.9036
109 DE7 0.9032
110 3WJ 0.9032
111 VJJ 0.9031
112 15Q 0.9030
113 5FD 0.9028
114 KW7 0.9027
115 54X 0.9027
116 7PJ 0.9026
117 EXG 0.9022
118 S7D 0.9017
119 QIV 0.9016
120 363 0.9016
121 RE4 0.9012
122 RVE 0.9010
123 FY8 0.9008
124 0OL 0.9008
125 B2L 0.9007
126 3GX 0.9006
127 54E 0.9006
128 P4T 0.9006
129 CDY 0.9005
130 FWD 0.9004
131 S7V 0.9004
132 4CN 0.9004
133 LIG 0.9004
134 ARP 0.9002
135 MFZ 0.9002
136 ZRK 0.9001
137 26A 0.9001
138 LVY 0.9000
139 XYP XDN 0.9000
140 M77 0.8999
141 5ID 0.8998
142 6MD 0.8997
143 CHQ 0.8997
144 OLU 0.8997
145 M9K 0.8997
146 D64 0.8996
147 22T 0.8995
148 GMP 0.8995
149 833 0.8994
150 ZZA 0.8993
151 FMQ 0.8992
152 XTS 0.8990
153 N2M 0.8990
154 EES 0.8989
155 LR8 0.8989
156 BGU 0.8988
157 XDL XYP 0.8987
158 PIQ 0.8985
159 OA1 0.8982
160 28A 0.8980
161 AD3 0.8978
162 L3L 0.8977
163 Y0V 0.8976
164 XIL 0.8975
165 P1J 0.8974
166 HA6 0.8974
167 3UG 0.8973
168 7L4 0.8973
169 6P3 0.8971
170 S0D 0.8970
171 0DF 0.8969
172 8OX 0.8967
173 NYJ 0.8967
174 GA2 0.8966
175 CUT 0.8965
176 XYA 0.8965
177 XDN XYP 0.8963
178 3IP 0.8963
179 4UO 0.8960
180 5P3 0.8959
181 SWX 0.8959
182 9JT 0.8958
183 5TT 0.8957
184 9H2 0.8957
185 LP8 0.8957
186 M02 0.8956
187 AWE 0.8955
188 8Y7 0.8954
189 FPL 0.8953
190 1DR 0.8950
191 PZ8 0.8949
192 3XH 0.8949
193 3DE 0.8948
194 3AD 0.8946
195 2FA 0.8945
196 AVX 0.8945
197 4Z9 0.8945
198 697 0.8944
199 H7S 0.8943
200 Y70 0.8941
201 57D 0.8941
202 ZHA 0.8939
203 MDR 0.8939
204 2PK 0.8936
205 DBS 0.8933
206 AVA 0.8932
207 96Z 0.8932
208 HHB 0.8932
209 FCW 0.8931
210 AQ1 0.8930
211 2JX 0.8929
212 5NN 0.8929
213 APS 0.8929
214 FMC 0.8928
215 2J1 0.8927
216 TR4 0.8926
217 JXK 0.8925
218 MIL 0.8924
219 CWD 0.8924
220 FTU 0.8923
221 NAG 0.8923
222 PVQ 0.8922
223 AUE 0.8922
224 NPX 0.8922
225 H75 0.8922
226 AUG 0.8921
227 PQS 0.8921
228 G14 0.8920
229 DT7 0.8919
230 C93 0.8918
231 UL1 0.8918
232 BZQ 0.8917
233 3AK 0.8916
234 3F4 0.8916
235 TMG 0.8916
236 JYT 0.8915
237 CUQ 0.8915
238 2PV 0.8915
239 B52 0.8915
240 PVK 0.8914
241 OUB 0.8914
242 ZEA 0.8913
243 PQM 0.8913
244 5N5 0.8913
245 XCG 0.8912
246 X0T 0.8912
247 3VX 0.8912
248 4GU 0.8912
249 WCU 0.8912
250 CGW 0.8910
251 H35 0.8910
252 EKH 0.8910
253 6FB 0.8909
254 G6P 0.8908
255 RGK 0.8907
256 6SD 0.8907
257 MOK 0.8906
258 3VW 0.8906
259 GJK 0.8905
260 0UL 0.8905
261 EF2 0.8904
262 51Y 0.8903
263 8OB 0.8903
264 6L6 0.8902
265 SZ5 0.8902
266 VC3 0.8902
267 FER 0.8901
268 AUV 0.8900
269 HHS 0.8900
270 5VU 0.8899
271 4FF 0.8899
272 2WU 0.8897
273 XYP XYP 0.8897
274 MXD 0.8895
275 WLH 0.8895
276 1VK 0.8894
277 IOP 0.8892
278 789 0.8890
279 JO5 0.8889
280 42R 0.8889
281 N91 0.8888
282 SJK 0.8886
283 RKV 0.8886
284 ITW 0.8885
285 NIY 0.8885
286 A4N 0.8885
287 5OR 0.8884
288 2GQ 0.8882
289 VUP 0.8882
290 MUX 0.8881
291 BC3 0.8881
292 6DE 0.8880
293 N1E 0.8880
294 JMG 0.8880
295 47V 0.8879
296 BWD 0.8878
297 P2L 0.8877
298 JAH 0.8876
299 X04 0.8874
300 SX3 0.8873
301 A4T 0.8872
302 2L2 0.8870
303 BPY 0.8870
304 78U 0.8868
305 6J9 0.8868
306 M78 0.8868
307 HH6 0.8867
308 DAH 0.8867
309 UA2 0.8867
310 CPW 0.8866
311 4OG 0.8865
312 4G2 0.8865
313 25F 0.8863
314 UAY 0.8861
315 V2Z 0.8861
316 EAE 0.8860
317 PRL 0.8860
318 6HO 0.8859
319 AH9 0.8859
320 8V8 0.8859
321 56N 0.8858
322 72D 0.8858
323 6H2 0.8856
324 9CE 0.8854
325 IWD 0.8852
326 NDG 0.8852
327 14N 0.8851
328 ZAR 0.8851
329 TYP 0.8851
330 120 0.8850
331 S60 0.8850
332 A4D 0.8850
333 3IL 0.8850
334 KLV 0.8849
335 F5C 0.8849
336 FT6 0.8848
337 1HP 0.8847
338 HFT 0.8847
339 Z21 0.8847
340 3VQ 0.8847
341 JOB 0.8846
342 TI7 0.8845
343 ZEC 0.8844
344 5GV 0.8844
345 TPR 0.8843
346 1FL 0.8843
347 AX5 0.8842
348 TCL 0.8841
349 M83 0.8841
350 JFS 0.8841
351 2UD 0.8840
352 5S9 0.8840
353 848 0.8840
354 A6Z 0.8840
355 2FD 0.8839
356 ZRL 0.8839
357 IAC 0.8839
358 M4N 0.8838
359 28B 0.8836
360 2P3 0.8835
361 B61 0.8834
362 FM1 0.8833
363 DFL 0.8833
364 KMP 0.8832
365 ONZ 0.8832
366 B4L 0.8830
367 JXT 0.8829
368 2Q0 0.8827
369 4FC 0.8826
370 AMR 0.8825
371 NIF 0.8825
372 0OY 0.8825
373 801 0.8824
374 121 0.8824
375 1A5 0.8822
376 PLP 0.8822
377 S98 0.8822
378 E9S 0.8822
379 JAK 0.8821
380 CBE 0.8821
381 549 0.8820
382 THM 0.8820
383 9BF 0.8820
384 NAL 0.8820
385 1BW 0.8820
386 XYS XYS 0.8819
387 L21 0.8818
388 MFR 0.8818
389 5DE 0.8818
390 8M5 0.8816
391 C53 0.8815
392 7ZL 0.8813
393 7D7 0.8813
394 0J2 0.8812
395 XI7 0.8811
396 531 0.8810
397 14W 0.8809
398 MTA 0.8808
399 SG2 0.8808
400 VT3 0.8806
401 MMS 0.8806
402 7PS 0.8805
403 DHC 0.8804
404 GO2 0.8804
405 PMM 0.8803
406 X2M 0.8803
407 3VS 0.8800
408 FZM 0.8800
409 3WN 0.8800
410 3WO 0.8800
411 C2M 0.8800
412 89J 0.8800
413 4MP 0.8799
414 CC6 0.8799
415 XYP XYS 0.8799
416 2K8 0.8798
417 CR4 0.8798
418 122 0.8798
419 BMZ 0.8798
420 4AU 0.8797
421 G30 0.8796
422 X6W 0.8796
423 5WK 0.8796
424 A 0.8796
425 DTR 0.8795
426 AH6 0.8793
427 397 0.8793
428 38E 0.8789
429 6QT 0.8789
430 QME 0.8789
431 EI1 0.8788
432 NWD 0.8788
433 NK5 0.8786
434 6EL 0.8786
435 1V3 0.8785
436 ZTW 0.8785
437 EE8 0.8784
438 SNI 0.8784
439 96R 0.8783
440 MMJ 0.8783
441 5ER 0.8783
442 8OE 0.8782
443 S8G 0.8780
444 XYS XYP 0.8779
445 HNT 0.8778
446 LJ3 0.8778
447 YUG 0.8778
448 A5K 0.8777
449 MUR 0.8775
450 EZL 0.8775
451 FM2 0.8775
452 VM1 0.8775
453 YOF 0.8774
454 0NJ 0.8774
455 LR2 0.8774
456 12R 0.8773
457 6WL 0.8773
458 CWE 0.8771
459 4L2 0.8770
460 RAB 0.8769
461 Q8D 0.8767
462 3CA 0.8767
463 3WK 0.8767
464 HX8 0.8767
465 1CY 0.8766
466 8CC 0.8766
467 20D 0.8766
468 68B 0.8766
469 0J5 0.8765
470 7ZO 0.8765
471 ZIQ 0.8765
472 0FK 0.8763
473 CP7 0.8762
474 DCF 0.8761
475 6NZ 0.8760
476 Y3L 0.8760
477 X6P 0.8759
478 2D2 0.8757
479 AJ4 0.8757
480 6C9 0.8756
481 0QV 0.8755
482 JCZ 0.8755
483 7G2 0.8754
484 Q5M 0.8754
485 A9K 0.8753
486 C0H 0.8753
487 8NB 0.8752
488 3JC 0.8752
489 GF4 0.8752
490 6J5 0.8752
491 MD6 0.8751
492 FF2 0.8750
493 4AF 0.8748
494 AOY 0.8748
495 YZ9 0.8748
496 H2W 0.8748
497 6HP 0.8748
498 1V4 0.8747
499 XFE 0.8747
500 BNX 0.8747
501 L2K 0.8746
502 HRD 0.8745
503 WS6 0.8745
504 Q8G 0.8745
505 OUA 0.8743
506 CDJ 0.8743
507 ODK 0.8743
508 MQG 0.8743
509 SYE 0.8742
510 BG6 0.8742
511 0GA 0.8741
512 2L1 0.8741
513 68A 0.8740
514 124 0.8739
515 BBY 0.8739
516 W8L 0.8739
517 BX4 0.8739
518 MEX 0.8739
519 DX7 0.8738
520 FCD 0.8738
521 Z25 0.8738
522 TCC 0.8737
523 7O4 0.8736
524 RPP 0.8735
525 6BK 0.8734
526 AJD 0.8734
527 3BH 0.8733
528 80G 0.8733
529 F4U 0.8733
530 I2E 0.8733
531 5NB 0.8732
532 GO8 0.8731
533 PLR 0.8731
534 A73 0.8730
535 TGW 0.8730
536 HRM 0.8729
537 5M2 0.8729
538 NKI 0.8728
539 1V1 0.8728
540 EQW 0.8727
541 O9Z 0.8726
542 Q9T 0.8726
543 6MW 0.8726
544 6Q3 0.8726
545 LUM 0.8725
546 GDL 0.8723
547 1QV 0.8721
548 CP6 0.8721
549 2J2 0.8718
550 B4O 0.8717
551 6CR 0.8717
552 TSR 0.8717
553 9KZ 0.8716
554 UQ1 0.8714
555 3QI 0.8712
556 PMP 0.8712
557 TZM 0.8711
558 UN3 0.8711
559 M3F 0.8709
560 EVO 0.8709
561 0LA 0.8708
562 LFN 0.8707
563 6TJ 0.8705
564 5SJ 0.8704
565 3RP 0.8704
566 1KN 0.8704
567 3N1 0.8701
568 OQC 0.8701
569 4UM 0.8700
570 613 0.8699
571 V1T 0.8699
572 4R1 0.8697
573 SOV 0.8697
574 M5E 0.8697
575 NE2 0.8695
576 3WL 0.8695
577 M3W 0.8694
578 IOS 0.8694
579 AOJ 0.8694
580 A18 0.8693
581 3SU 0.8693
582 7MW 0.8693
583 TCR 0.8693
584 A5P 0.8692
585 9F8 0.8692
586 2LT 0.8692
587 NQ7 0.8692
588 JA3 0.8691
589 MJW 0.8691
590 LZB 0.8690
591 TID 0.8688
592 LWS 0.8686
593 2LW 0.8686
594 K7H 0.8686
595 W23 0.8685
596 9OF 0.8685
597 PXP 0.8685
598 IS2 0.8684
599 5F8 0.8683
600 JSX 0.8681
601 244 0.8680
602 38B 0.8680
603 FHV 0.8679
604 ZYV 0.8679
605 SQM 0.8679
606 NAR 0.8677
607 5FL 0.8677
608 PTB 0.8675
609 EAT 0.8675
610 A5Q 0.8673
611 O9Q 0.8673
612 N2Y 0.8673
613 6C5 0.8672
614 5H6 0.8672
615 ZME 0.8671
616 6ZW 0.8671
617 G2V 0.8669
618 B2E 0.8668
619 J38 0.8667
620 IDD 0.8666
621 L5D 0.8665
622 MG7 0.8665
623 0Q2 0.8664
624 IQQ 0.8664
625 LZ5 0.8663
626 PH2 0.8663
627 GJG 0.8663
628 OX2 0.8662
629 NU3 0.8662
630 5WN 0.8662
631 BIE 0.8660
632 HO6 0.8658
633 F4K 0.8658
634 ITE 0.8658
635 MNS 0.8656
636 272 0.8656
637 CU8 0.8655
638 KY3 0.8655
639 L15 0.8652
640 GLP 0.8650
641 8HG 0.8649
642 3ZB 0.8649
643 GAT 0.8648
644 5F5 0.8646
645 0RY 0.8644
646 8MP 0.8643
647 96U 0.8643
648 SKF 0.8643
649 GFE 0.8642
650 N7I 0.8642
651 YE7 0.8642
652 5WS 0.8642
653 NDD 0.8641
654 4K2 0.8641
655 FB4 0.8640
656 ZYQ 0.8640
657 F02 0.8638
658 HWB 0.8637
659 26C 0.8637
660 LOT 0.8634
661 KYN 0.8634
662 VIB 0.8634
663 555 0.8633
664 52F 0.8633
665 M6P 0.8631
666 NRA 0.8630
667 B1T 0.8627
668 78P 0.8626
669 5WT 0.8626
670 S1D 0.8626
671 X0U 0.8626
672 Q4G 0.8625
673 88X 0.8623
674 E9L 0.8622
675 2QC 0.8622
676 4BX 0.8621
677 5UD 0.8618
678 CFE 0.8617
679 UNJ 0.8616
680 92P 0.8614
681 0ON 0.8614
682 4ZF 0.8614
683 HWD 0.8613
684 LI7 0.8612
685 MR6 0.8611
686 FBC 0.8608
687 SV4 0.8607
688 4YE 0.8604
689 AKD 0.8603
690 9ZE 0.8601
691 FC2 0.8600
692 MAG 0.8600
693 CK2 0.8599
694 9JH 0.8599
695 1XS 0.8597
696 GC2 0.8597
697 ERZ 0.8597
698 3JN 0.8595
699 M4E 0.8592
700 428 0.8591
701 08C 0.8590
702 EYJ 0.8589
703 J84 0.8589
704 LVB 0.8588
705 IQZ 0.8586
706 5O6 0.8586
707 RZH 0.8586
708 50C 0.8586
709 4I8 0.8586
710 CEG 0.8585
711 VBC 0.8585
712 4FP 0.8585
713 4GP 0.8585
714 2KU 0.8578
715 PUE 0.8578
716 B0K 0.8577
717 DUR 0.8577
718 QMS 0.8576
719 4F8 0.8574
720 EYY 0.8571
721 92G 0.8571
722 WVV 0.8569
723 DT9 0.8567
724 GNY 0.8565
725 9NB 0.8563
726 DDC 0.8559
727 BY5 0.8559
728 O9T 0.8558
729 LZJ 0.8558
730 S46 0.8557
731 BG8 0.8557
732 23M 0.8556
733 CH9 0.8550
734 QR2 0.8550
735 8NX 0.8547
736 344 0.8544
737 TQ3 0.8543
738 MI2 0.8542
739 X29 0.8538
740 BZC 0.8538
741 CIY 0.8537
742 B21 0.8535
743 0DN 0.8534
744 D6G 0.8534
745 5XM 0.8532
746 F18 0.8530
747 TIA 0.8529
748 KYA 0.8525
749 LNR 0.8524
750 B86 0.8520
751 JTE 0.8520
752 A4Q 0.8518
753 NGA 0.8509
754 657 0.8508
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6SI3; Ligand: LEB; 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: 6si3.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6SI3; Ligand: LEB; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 6si3.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback