Receptor
PDB id Resolution Class Description Source Keywords
5DY7 1.69 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE HUMAN BRPF1 BROMODOMAIN IN COMPLEX HOMO SAPIENS BROMODOMAIN AND PHD FINGER-CONTAINING PROTEIN 1(BRPF1) MONOLEUKEMIA ZINC-FINGER (MOZ) INHIBITOR TRANSCRIPTION DNA BPROTEIN
Ref.: TWENTY CRYSTAL STRUCTURES OF BROMODOMAIN AND PHD FI CONTAINING PROTEIN 1 (BRPF1)/LIGAND COMPLEXES REVEA CONSERVED BINDING MOTIFS AND RARE INTERACTIONS. J.MED.CHEM. V. 59 5555 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NO3 A:802;
 Invalid;
 none;
 submit data
62.005 N O3 [N+](...
5GT A:801;
 Valid;
 none;
 submit data
216.16 C9 H7 F3 N2 O c1cc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4UYE 1.65 Å NON-ENZYME: OTHER BROMODOMAIN OF HUMAN BRPF1 WITH N-1,3-DIMETHYL-2-OXO-6-( PIPERIDIN-1-YL)-2,3-DIHYDRO-1H-1,3-BENZODIAZOL-5-YL-2- M ETHOXYBENZAMIDE HOMO SAPIENS TRANSCRIPTION INHIBITOR HISTONE EPIGENETIC READER ANTAGO
Ref.: 1,3-DIMETHYL BENZIMIDAZOLONES ARE POTENT, SELECTIVE INHIBITORS OF THE BRPF1 BROMODOMAIN. ACS MED.CHEM.LETT. V. 5 1190 2014
Members (37)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5E3G - 5JQ C5 H4 N4 O2 S C12=C(NC(=....
2 5T4U ic50 = 4800 nM 12Q C10 H9 N O CN1c2ccccc....
3 5EWH Kd = 170 uM 5SG C9 H7 N O c1cc2cnccc....
4 5C85 Kd = 105 uM 4YO C8 H7 Br N2 O c1cc2c(cc1....
5 5E3D Kd = 95 uM 5JL C5 H4 N4 O S2 C12=C(NC(=....
6 5C87 - 4YS C9 H7 N O c1ccc2c(c1....
7 5O4T - 9KT C10 H10 N2 O2 CN1c2ccccc....
8 5OV8 Kd = 18 uM AXN C24 H30 N4 O4 S CC(C)Cc1cc....
9 5O4S ic50 = 3.4 uM 9KW C24 H28 N4 O5 S CN1c2cc(c(....
10 5MWH Kd = 1.8 uM UWX C24 H30 N4 O5 S CC(C)Cc1cc....
11 5DY7 - 5GT C9 H7 F3 N2 O c1cc2c(cc1....
12 5T4V ic50 = 60 nM N48 C19 H17 N3 O4 S CC1=CC(=O)....
13 5DYC - 5GU C8 H7 Br N2 O c1cc2c(cc1....
14 5O55 - 9L5 C19 H23 N5 O2 CCN1c2ccc(....
15 5EQ1 Kd = 21 uM BEA C9 H8 N3 S Cc1cccc2c1....
16 5G4S ic50 = 1 uM 8VI C24 H31 N5 O3 CCN(c1cc2c....
17 5EWC - 5SJ C12 H14 N2 O3 CCOC(=O)c1....
18 5EPR Kd = 91 uM 5QY C9 H10 N2 O C[C@H]1C(=....
19 5EVA - 5S9 C11 H9 F2 N3 O Cn1c(ccn1)....
20 5ETD - 5RN C10 H9 N O CC(=O)c1c[....
21 5DYA - 5GV C11 H12 N2 O3 CC[C@@H]1C....
22 5EV9 - 5SB C14 H12 N4 O CC(=O)Nc1c....
23 5MYG Kd = 31 nM LS8 C19 H17 N3 O4 S CC1=Cc2cc(....
24 5MWZ Kd = 7.1 uM KGU C24 H36 N6 O3 CCN1c2cc(c....
25 5G4R ic50 = 7.943 nM LF1 C22 H27 N5 O3 C[C@@H]1CN....
26 5OWA Kd = 3.5 uM B0H C17 H24 N4 O2 S Cc1c(oc(n1....
27 5EM3 - 5Q0 C9 H7 N O c1cc2c(ccc....
28 5ETB Kd = 29 uM 5RO C11 H11 N O Cc1cccc2c1....
29 4UYE Kd = 9.54 nM 9F9 C22 H26 N4 O3 CN1c2cc(c(....
30 5O5F - 9LT C22 H20 F N5 O3 CCN1c2ccc(....
31 5O5A - 9LN C22 H21 N5 O3 CCN1c2ccc(....
32 5O5H - 9LK C17 H14 Cl N3 O3 Cc1c(oc(n1....
33 5C7N Kd = 0.27 uM BMF C17 H20 N6 O4 S CCOC(=O)Nc....
34 5EPS Kd = 38 uM 5QX C9 H10 N2 O CN1c2ccccc....
35 5MWG ic50 = 1.7 uM WGX C25 H30 N4 O4 S CN1c2cc(c(....
36 5D7X Kd = 15 uM XZ8 C14 H13 N3 O2 CC1=C(C(=O....
37 6EKQ Kd = 10.9 uM B0H C17 H24 N4 O2 S Cc1c(oc(n1....
70% Homology Family (39)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 5E3G - 5JQ C5 H4 N4 O2 S C12=C(NC(=....
2 5T4U ic50 = 4800 nM 12Q C10 H9 N O CN1c2ccccc....
3 5EWH Kd = 170 uM 5SG C9 H7 N O c1cc2cnccc....
4 5C85 Kd = 105 uM 4YO C8 H7 Br N2 O c1cc2c(cc1....
5 5E3D Kd = 95 uM 5JL C5 H4 N4 O S2 C12=C(NC(=....
6 5C87 - 4YS C9 H7 N O c1ccc2c(c1....
7 5O4T - 9KT C10 H10 N2 O2 CN1c2ccccc....
8 5OV8 Kd = 18 uM AXN C24 H30 N4 O4 S CC(C)Cc1cc....
9 5O4S ic50 = 3.4 uM 9KW C24 H28 N4 O5 S CN1c2cc(c(....
10 5MWH Kd = 1.8 uM UWX C24 H30 N4 O5 S CC(C)Cc1cc....
11 5DY7 - 5GT C9 H7 F3 N2 O c1cc2c(cc1....
12 5T4V ic50 = 60 nM N48 C19 H17 N3 O4 S CC1=CC(=O)....
13 5DYC - 5GU C8 H7 Br N2 O c1cc2c(cc1....
14 5O55 - 9L5 C19 H23 N5 O2 CCN1c2ccc(....
15 5EQ1 Kd = 21 uM BEA C9 H8 N3 S Cc1cccc2c1....
16 5G4S ic50 = 1 uM 8VI C24 H31 N5 O3 CCN(c1cc2c....
17 5EWC - 5SJ C12 H14 N2 O3 CCOC(=O)c1....
18 5EPR Kd = 91 uM 5QY C9 H10 N2 O C[C@H]1C(=....
19 5EVA - 5S9 C11 H9 F2 N3 O Cn1c(ccn1)....
20 5ETD - 5RN C10 H9 N O CC(=O)c1c[....
21 5DYA - 5GV C11 H12 N2 O3 CC[C@@H]1C....
22 5EV9 - 5SB C14 H12 N4 O CC(=O)Nc1c....
23 5MYG Kd = 31 nM LS8 C19 H17 N3 O4 S CC1=Cc2cc(....
24 5MWZ Kd = 7.1 uM KGU C24 H36 N6 O3 CCN1c2cc(c....
25 5G4R ic50 = 7.943 nM LF1 C22 H27 N5 O3 C[C@@H]1CN....
26 5OWA Kd = 3.5 uM B0H C17 H24 N4 O2 S Cc1c(oc(n1....
27 5EM3 - 5Q0 C9 H7 N O c1cc2c(ccc....
28 5ETB Kd = 29 uM 5RO C11 H11 N O Cc1cccc2c1....
29 4UYE Kd = 9.54 nM 9F9 C22 H26 N4 O3 CN1c2cc(c(....
30 5O5F - 9LT C22 H20 F N5 O3 CCN1c2ccc(....
31 5O5A - 9LN C22 H21 N5 O3 CCN1c2ccc(....
32 5O5H - 9LK C17 H14 Cl N3 O3 Cc1c(oc(n1....
33 5C7N Kd = 0.27 uM BMF C17 H20 N6 O4 S CCOC(=O)Nc....
34 5EPS Kd = 38 uM 5QX C9 H10 N2 O CN1c2ccccc....
35 5MWG ic50 = 1.7 uM WGX C25 H30 N4 O4 S CN1c2cc(c(....
36 5D7X Kd = 15 uM XZ8 C14 H13 N3 O2 CC1=C(C(=O....
37 6EKQ Kd = 10.9 uM B0H C17 H24 N4 O2 S Cc1c(oc(n1....
38 3RCW - MB3 C5 H9 N O CN1CCCC1=O
39 5N49 ic50 = 450 nM 8LW C22 H17 N3 O3 Cc1cc2c(cc....
50% Homology Family (64)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 5I7Y Kd = 52 nM 69G C20 H21 N3 O2 C/C=C/CN1C....
2 4UIW ic50 = 0.00000001 M H1B C22 H22 F3 N3 O3 S2 CCN1C=C(c2....
3 4UIV ic50 = 0.00000001 M XZB C21 H20 F3 N3 O3 S2 CN1C=C(c2c....
4 5JI8 Kd = 23.4 uM 6KT C8 H7 N3 O S c1cc2c(cc1....
5 5MKY ic50 = 2 uM I0D C15 H17 Cl N4 O CN1CCc2c(c....
6 4UIU ic50 = 0.00000001 M TVU C22 H24 N2 O6 S2 CN1C=C(c2c....
7 4UIT ic50 = 0.00000001 M N1D C22 H25 N3 O6 S2 CN1C=C(c2c....
8 5I40 ic50 = 13.7 uM 67N C8 H8 N2 O CN1C=Cc2cc....
9 5I7X Kd = 53 nM 67B C17 H17 N3 O2 CN1C=C(c2c....
10 6V1B Kd = 37 nM H1B C22 H22 F3 N3 O3 S2 CCN1C=C(c2....
11 6V0X Kd = 277 uM B49 C22 H27 F N4 O2 CCN(CC)CCN....
12 4XY8 Kd = 397 nM 43U C12 H10 Br N5 O COc1ccc(cc....
13 5IGM Kd = 41.7 nM BMF C17 H20 N6 O4 S CCOC(=O)Nc....
14 4Z6H Kd = 612 nM 4L2 C16 H18 N2 O2 CC1=CC(=O)....
15 6HM0 Kd = 73 nM GBW C50 H64 N8 O9 S Cc1c(scn1)....
16 5F1H Kd = 14.1 nM 5U6 C20 H23 N3 O3 CN1C=C(c2c....
17 5F1L ic50 = 21 nM 5U2 C19 H24 N2 O4 CC1=CC(=CN....
18 5F25 Kd = 9.1 uM 5TU C14 H14 N2 O2 CC1=CC(=CN....
19 4Z6I - 4L3 C27 H31 N3 O4 CC1=CC(=O)....
20 6V0S Kd = 16000 nM EAE C13 H15 N O2 S CCN1c2cc(c....
21 5EU1 Kd = 15.4 nM 5SW C20 H23 N3 O3 CN1C=C(c2c....
22 6V14 Kd = 82 nM QMG C20 H19 N3 O2 Cc1ccc(cc1....
23 5F2P Kd = 37.5 uM 5TY C10 H12 N4 O CN1C=Cc2c(....
24 5E3D Kd = 95 uM 5JL C5 H4 N4 O S2 C12=C(NC(=....
25 5C87 - 4YS C9 H7 N O c1ccc2c(c1....
26 5O4T - 9KT C10 H10 N2 O2 CN1c2ccccc....
27 5OV8 Kd = 18 uM AXN C24 H30 N4 O4 S CC(C)Cc1cc....
28 5O4S ic50 = 3.4 uM 9KW C24 H28 N4 O5 S CN1c2cc(c(....
29 5MWH Kd = 1.8 uM UWX C24 H30 N4 O5 S CC(C)Cc1cc....
30 5DY7 - 5GT C9 H7 F3 N2 O c1cc2c(cc1....
31 5T4V ic50 = 60 nM N48 C19 H17 N3 O4 S CC1=CC(=O)....
32 5DYC - 5GU C8 H7 Br N2 O c1cc2c(cc1....
33 5O55 - 9L5 C19 H23 N5 O2 CCN1c2ccc(....
34 5EQ1 Kd = 21 uM BEA C9 H8 N3 S Cc1cccc2c1....
35 5G4S ic50 = 1 uM 8VI C24 H31 N5 O3 CCN(c1cc2c....
36 5EWC - 5SJ C12 H14 N2 O3 CCOC(=O)c1....
37 5EPR Kd = 91 uM 5QY C9 H10 N2 O C[C@H]1C(=....
38 5EVA - 5S9 C11 H9 F2 N3 O Cn1c(ccn1)....
39 5ETD - 5RN C10 H9 N O CC(=O)c1c[....
40 5DYA - 5GV C11 H12 N2 O3 CC[C@@H]1C....
41 5EV9 - 5SB C14 H12 N4 O CC(=O)Nc1c....
42 5MYG Kd = 31 nM LS8 C19 H17 N3 O4 S CC1=Cc2cc(....
43 5MWZ Kd = 7.1 uM KGU C24 H36 N6 O3 CCN1c2cc(c....
44 5G4R ic50 = 7.943 nM LF1 C22 H27 N5 O3 C[C@@H]1CN....
45 5OWA Kd = 3.5 uM B0H C17 H24 N4 O2 S Cc1c(oc(n1....
46 5EM3 - 5Q0 C9 H7 N O c1cc2c(ccc....
47 5ETB Kd = 29 uM 5RO C11 H11 N O Cc1cccc2c1....
48 4UYE Kd = 9.54 nM 9F9 C22 H26 N4 O3 CN1c2cc(c(....
49 5O5F - 9LT C22 H20 F N5 O3 CCN1c2ccc(....
50 5O5A - 9LN C22 H21 N5 O3 CCN1c2ccc(....
51 5O5H - 9LK C17 H14 Cl N3 O3 Cc1c(oc(n1....
52 5C7N Kd = 0.27 uM BMF C17 H20 N6 O4 S CCOC(=O)Nc....
53 5EPS Kd = 38 uM 5QX C9 H10 N2 O CN1c2ccccc....
54 5MWG ic50 = 1.7 uM WGX C25 H30 N4 O4 S CN1c2cc(c(....
55 5D7X Kd = 15 uM XZ8 C14 H13 N3 O2 CC1=C(C(=O....
56 6EKQ Kd = 10.9 uM B0H C17 H24 N4 O2 S Cc1c(oc(n1....
57 6V1E Kd = 121 nM 5SW C20 H23 N3 O3 CN1C=C(c2c....
58 6V17 Kd = 148 nM H1B C22 H22 F3 N3 O3 S2 CCN1C=C(c2....
59 6V0Q Kd = 4200 nM EAE C13 H15 N O2 S CCN1c2cc(c....
60 6V1H Kd = 114 nM BMF C17 H20 N6 O4 S CCOC(=O)Nc....
61 6V16 Kd = 556 nM QMG C20 H19 N3 O2 Cc1ccc(cc1....
62 6V1F Kd = 418 nM 5U6 C20 H23 N3 O3 CN1C=C(c2c....
63 3RCW - MB3 C5 H9 N O CN1CCCC1=O
64 5N49 ic50 = 450 nM 8LW C22 H17 N3 O3 Cc1cc2c(cc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 5GT; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 5GT 1 1
2 5GU 0.5 0.880952
Similar Ligands (3D)
Ligand no: 1; Ligand: 5GT; Similar ligands found: 751
No: Ligand Similarity coefficient
1 2O6 0.9593
2 SKF 0.9590
3 P9E 0.9507
4 S0E 0.9483
5 MAJ 0.9478
6 N2M 0.9456
7 IAC 0.9455
8 BIK 0.9427
9 JP2 0.9409
10 AZM 0.9390
11 SLS 0.9387
12 EUE 0.9386
13 15N 0.9374
14 0JD 0.9374
15 4I8 0.9363
16 EVF 0.9362
17 E1T 0.9347
18 30G 0.9333
19 6FB 0.9331
20 IOS 0.9330
21 428 0.9316
22 9ZE 0.9310
23 GO2 0.9300
24 CSN 0.9295
25 4MB 0.9289
26 BZJ 0.9289
27 6KT 0.9287
28 QMS 0.9281
29 4BY 0.9280
30 1F1 0.9276
31 BQ2 0.9271
32 363 0.9265
33 657 0.9261
34 CKA 0.9261
35 V1T 0.9257
36 GJP 0.9251
37 4NP 0.9251
38 TSR 0.9248
39 JAW 0.9247
40 2ZM 0.9240
41 EXD 0.9232
42 0HN 0.9230
43 Y3L 0.9229
44 HA5 0.9228
45 0FK 0.9228
46 27B 0.9226
47 N1E 0.9222
48 5GV 0.9219
49 36E 0.9218
50 4BL 0.9210
51 4XF 0.9208
52 3A9 0.9207
53 3W8 0.9203
54 ESX 0.9200
55 EYV 0.9200
56 J6W 0.9200
57 4RU 0.9196
58 S7G 0.9195
59 TXW 0.9192
60 3ZB 0.9188
61 SYE 0.9188
62 8NX 0.9187
63 6NT 0.9186
64 6ZW 0.9183
65 1HN 0.9182
66 QIV 0.9182
67 ATX 0.9178
68 3NY 0.9177
69 0HO 0.9176
70 1L5 0.9176
71 6NI 0.9173
72 SRO 0.9172
73 U7E 0.9170
74 ESP 0.9166
75 4NS 0.9166
76 TCR 0.9165
77 FQX 0.9165
78 5NI 0.9159
79 DRG 0.9157
80 EV2 0.9157
81 ZEC 0.9154
82 AN3 0.9153
83 LR5 0.9152
84 PEY 0.9152
85 A7H 0.9151
86 EYJ 0.9150
87 X0U 0.9149
88 2JK 0.9146
89 LEL 0.9142
90 RNO 0.9139
91 PRL 0.9136
92 SNO 0.9129
93 3AE 0.9129
94 9FL 0.9128
95 JB8 0.9125
96 344 0.9122
97 ANF 0.9120
98 BZ2 0.9118
99 3R4 0.9117
100 K4V 0.9116
101 N2I 0.9115
102 AA 0.9113
103 S7A 0.9113
104 THA 0.9113
105 BGU 0.9112
106 NAG 0.9111
107 PPY 0.9108
108 1VK 0.9106
109 DHC 0.9106
110 M5H 0.9104
111 ONR 0.9100
112 7MW 0.9098
113 JDN 0.9095
114 4NZ 0.9093
115 7O4 0.9092
116 8HC 0.9091
117 2GQ 0.9088
118 FBF 0.9086
119 9CA 0.9082
120 12T 0.9079
121 G14 0.9076
122 PJW 0.9075
123 2HU 0.9074
124 IQ5 0.9074
125 5VL 0.9073
126 1IT 0.9073
127 SG2 0.9073
128 5TY 0.9070
129 1FE 0.9069
130 1A7 0.9068
131 6QF 0.9067
132 TMG 0.9065
133 8ZE 0.9062
134 KYN 0.9062
135 HBO 0.9060
136 XCG 0.9060
137 IL5 0.9059
138 ZZA 0.9058
139 3VX 0.9054
140 9FE 0.9054
141 49P 0.9052
142 9UL 0.9052
143 PNP 0.9046
144 8XL 0.9042
145 J38 0.9041
146 HHS 0.9041
147 YIE 0.9039
148 DER 0.9038
149 EN1 0.9035
150 CH9 0.9034
151 L22 0.9034
152 A5P 0.9034
153 5RP 0.9032
154 ST3 0.9031
155 KTW 0.9030
156 KYA 0.9030
157 6FZ 0.9029
158 S60 0.9028
159 PMP 0.9027
160 NLA 0.9026
161 4LW 0.9026
162 0F9 0.9026
163 TRP 0.9026
164 FCD 0.9025
165 KMY 0.9025
166 3VW 0.9024
167 5F5 0.9021
168 3VQ 0.9020
169 DK1 0.9020
170 MZM 0.9020
171 RD4 0.9018
172 2K8 0.9017
173 ABI 0.9017
174 61M 0.9017
175 68A 0.9016
176 UNJ 0.9014
177 TT4 0.9012
178 E7S 0.9011
179 ESI 0.9010
180 2HC 0.9010
181 S7J 0.9009
182 ZHA 0.9008
183 I2E 0.9008
184 5SJ 0.9006
185 ZYR 0.9003
186 EWG 0.9002
187 HJ7 0.9002
188 ANC 0.9000
189 EYY 0.8999
190 MD6 0.8999
191 WV7 0.8999
192 LQ2 0.8998
193 PLP 0.8997
194 DNF 0.8994
195 C82 0.8991
196 7FU 0.8991
197 TU0 0.8985
198 XDK 0.8984
199 THU 0.8982
200 2JX 0.8982
201 RKV 0.8982
202 JTA 0.8981
203 E1K 0.8981
204 AM4 0.8981
205 2FX 0.8980
206 8NB 0.8980
207 R20 0.8980
208 VM1 0.8980
209 KJU 0.8980
210 N91 0.8980
211 CUT 0.8979
212 92P 0.8977
213 4KL 0.8976
214 ODK 0.8975
215 HRM 0.8973
216 H5B 0.8971
217 NPA 0.8970
218 AMR 0.8970
219 36M 0.8970
220 GNM 0.8970
221 BPY 0.8970
222 QMR 0.8969
223 LL1 0.8968
224 ICB 0.8967
225 4CM 0.8966
226 Z13 0.8965
227 795 0.8965
228 M78 0.8965
229 JF2 0.8964
230 C53 0.8963
231 A7Q 0.8962
232 OW7 0.8961
233 AOT 0.8961
234 2LW 0.8960
235 ET0 0.8959
236 GDL 0.8959
237 2P3 0.8956
238 3J8 0.8956
239 4Z9 0.8953
240 0NX 0.8953
241 S62 0.8952
242 GNJ 0.8950
243 PUE 0.8950
244 3QV 0.8949
245 NBG 0.8947
246 KDV 0.8947
247 5XC 0.8947
248 R8Y 0.8947
249 HSX 0.8946
250 4NB 0.8945
251 0XT 0.8945
252 DTR 0.8943
253 9BF 0.8943
254 BA5 0.8941
255 8W9 0.8939
256 CWJ 0.8939
257 5E5 0.8938
258 HNT 0.8934
259 4AU 0.8932
260 3VS 0.8931
261 PD2 0.8930
262 EQW 0.8930
263 YE6 0.8929
264 4LV 0.8929
265 549 0.8928
266 78Y 0.8928
267 6DH 0.8927
268 94W 0.8927
269 IWT 0.8926
270 F31 0.8926
271 IOP 0.8925
272 ST2 0.8924
273 HQJ 0.8922
274 DX3 0.8922
275 GZ2 0.8921
276 92G 0.8921
277 5F8 0.8921
278 N0Z 0.8920
279 0UL 0.8920
280 NDG 0.8920
281 R9Y 0.8920
282 BP7 0.8919
283 RA7 0.8918
284 GNY 0.8918
285 X48 0.8917
286 L14 0.8913
287 BZQ 0.8909
288 GO8 0.8909
289 D3G 0.8909
290 AVA 0.8909
291 AJ1 0.8908
292 B41 0.8908
293 F4E 0.8906
294 6TZ 0.8906
295 CNI 0.8905
296 67X 0.8905
297 N4E 0.8904
298 6ZX 0.8903
299 BVA 0.8903
300 7MX 0.8903
301 9R5 0.8901
302 7AP 0.8901
303 M4S 0.8899
304 P80 0.8899
305 4V2 0.8898
306 XI7 0.8895
307 6VD 0.8894
308 54X 0.8894
309 I3E 0.8891
310 APS 0.8891
311 4TU 0.8890
312 JG8 0.8890
313 X11 0.8889
314 BNX 0.8889
315 KF5 0.8887
316 HX4 0.8887
317 VNL 0.8887
318 FCW 0.8886
319 LP8 0.8886
320 C2Y 0.8886
321 T03 0.8885
322 OQC 0.8885
323 8WO 0.8883
324 0OL 0.8882
325 5DL 0.8882
326 CK2 0.8880
327 R1P 0.8879
328 OA1 0.8879
329 G1P 0.8878
330 FHC 0.8876
331 MP5 0.8875
332 TJM 0.8874
333 GNV 0.8874
334 PDC 0.8874
335 2F6 0.8874
336 A5H 0.8873
337 1QP 0.8873
338 2UZ 0.8872
339 LZ5 0.8872
340 QBP 0.8871
341 MUX 0.8870
342 BHQ 0.8870
343 ARP 0.8870
344 1AJ 0.8869
345 1ZC 0.8869
346 L5V 0.8869
347 G6P 0.8867
348 7I2 0.8865
349 A7N 0.8865
350 ZIQ 0.8864
351 H4B 0.8864
352 DNA 0.8860
353 KLV 0.8860
354 0FR 0.8859
355 1QV 0.8859
356 LDR 0.8859
357 HBI 0.8858
358 9AP 0.8856
359 56D 0.8856
360 YE7 0.8855
361 M3Q 0.8854
362 LTN 0.8853
363 ENO 0.8852
364 MR1 0.8852
365 5TZ 0.8851
366 JCZ 0.8850
367 DEW 0.8849
368 D2G 0.8845
369 YZ9 0.8843
370 CFA 0.8843
371 NGA 0.8843
372 PNZ 0.8840
373 15E 0.8840
374 AJG 0.8840
375 TZM 0.8837
376 BL0 0.8835
377 BIO 0.8835
378 MS0 0.8833
379 GF4 0.8833
380 4AB 0.8832
381 DDU 0.8832
382 JF1 0.8832
383 AJY 0.8831
384 II4 0.8830
385 CTE 0.8830
386 BZE 0.8830
387 PQK 0.8830
388 AY4 0.8830
389 4WL 0.8829
390 M4E 0.8829
391 39Z 0.8829
392 2D2 0.8828
393 X0V 0.8828
394 5OB 0.8828
395 535 0.8826
396 5LA 0.8826
397 5FL 0.8826
398 NPL 0.8826
399 I7B 0.8825
400 BNL 0.8824
401 6HO 0.8824
402 N2Y 0.8823
403 IPD 0.8823
404 DAH 0.8822
405 FC2 0.8822
406 ITE 0.8820
407 CC5 0.8820
408 9KZ 0.8819
409 833 0.8819
410 DPT 0.8819
411 TSS 0.8819
412 BG6 0.8817
413 78U 0.8815
414 GLP 0.8815
415 GVY 0.8814
416 3XR 0.8814
417 FZM 0.8814
418 SYV 0.8813
419 STT 0.8813
420 MSR 0.8812
421 SNU 0.8812
422 CUH 0.8811
423 KTJ 0.8810
424 60L 0.8810
425 FF2 0.8809
426 LTT 0.8807
427 DT7 0.8805
428 A5E 0.8805
429 S7D 0.8804
430 FUD 0.8804
431 YZM 0.8804
432 ZME 0.8802
433 CHQ 0.8801
434 9NB 0.8800
435 F2W 0.8800
436 4FF 0.8799
437 JWS 0.8799
438 SJK 0.8799
439 3TC 0.8799
440 NIY 0.8798
441 ODO 0.8797
442 5WN 0.8795
443 AES 0.8795
444 YTX 0.8795
445 ICO 0.8793
446 FDR 0.8792
447 FZ0 0.8792
448 4JC 0.8790
449 0LO 0.8790
450 A6P 0.8789
451 E3X 0.8789
452 RVE 0.8788
453 7ZL 0.8787
454 NPX 0.8786
455 4TP 0.8786
456 9FH 0.8786
457 2BG 0.8786
458 ANN 0.8784
459 BZ3 0.8783
460 ALE 0.8781
461 6DP 0.8780
462 N8Y 0.8780
463 X04 0.8779
464 K48 0.8779
465 BGP 0.8778
466 22L 0.8777
467 D1Y 0.8775
468 5NS 0.8775
469 HIS 0.8773
470 DA4 0.8773
471 7VP 0.8773
472 LZ2 0.8772
473 ZSP 0.8772
474 0F3 0.8769
475 MIL 0.8769
476 KW8 0.8768
477 A2G 0.8767
478 TYL 0.8767
479 PFL 0.8767
480 B21 0.8766
481 TYR 0.8766
482 F4K 0.8765
483 D9Z 0.8764
484 2LY 0.8763
485 PRO GLY 0.8762
486 5B2 0.8762
487 0SY 0.8761
488 DUR 0.8761
489 FHV 0.8761
490 0BP 0.8760
491 ALX 0.8759
492 F6P 0.8758
493 ZYQ 0.8758
494 D1G 0.8758
495 GNR 0.8758
496 X6P 0.8757
497 RSV 0.8756
498 ROI 0.8756
499 H2B 0.8756
500 PLR 0.8755
501 AVO 0.8754
502 2WU 0.8754
503 52C 0.8754
504 5WT 0.8753
505 E5X 0.8752
506 0W1 0.8751
507 BBK 0.8751
508 B56 0.8750
509 PH2 0.8750
510 ENG 0.8749
511 7ME 0.8749
512 28A 0.8749
513 6L6 0.8749
514 FWD 0.8748
515 HHR 0.8748
516 CPZ 0.8748
517 B4O 0.8748
518 BOQ 0.8748
519 27K 0.8748
520 BK9 0.8747
521 8MO 0.8745
522 R2P 0.8745
523 MPV 0.8743
524 L1T 0.8743
525 WS7 0.8742
526 W81 0.8742
527 XIY 0.8740
528 1Z6 0.8738
529 XFE 0.8737
530 P0P 0.8736
531 5DS 0.8735
532 Z5P 0.8735
533 VC3 0.8734
534 QQQ 0.8732
535 4BZ 0.8732
536 8G0 0.8731
537 VFG 0.8730
538 Z21 0.8729
539 LFQ 0.8728
540 J9Q 0.8726
541 2FQ 0.8726
542 0J4 0.8726
543 VXX 0.8726
544 1PS 0.8726
545 RP3 0.8725
546 2KA 0.8725
547 091 0.8725
548 MXD 0.8725
549 28N 0.8724
550 2QC 0.8722
551 MS9 0.8722
552 XIZ 0.8722
553 S0D 0.8721
554 JRB 0.8719
555 WUB 0.8718
556 PFF 0.8717
557 K7H 0.8717
558 JND 0.8715
559 AH9 0.8715
560 4FH 0.8713
561 97T 0.8713
562 PIQ 0.8711
563 J9N 0.8709
564 R9G 0.8707
565 S98 0.8706
566 DXK 0.8706
567 DNC 0.8706
568 0OK 0.8706
569 5AD 0.8705
570 6RQ 0.8705
571 8D6 0.8704
572 1M2 0.8704
573 H4E 0.8703
574 KWB 0.8703
575 6MW 0.8702
576 B1J 0.8702
577 AUV 0.8702
578 NFA 0.8701
579 RYV 0.8700
580 A6W 0.8699
581 ZRK 0.8699
582 F02 0.8698
583 TZF 0.8697
584 6FG 0.8697
585 OVM 0.8697
586 HC4 0.8696
587 BPN 0.8696
588 DJN 0.8696
589 L07 0.8695
590 DXP 0.8694
591 1BN 0.8694
592 J1K 0.8692
593 VD9 0.8692
594 MUR 0.8690
595 NRA 0.8689
596 5RO 0.8687
597 9H2 0.8683
598 EQA 0.8682
599 NCT 0.8682
600 K3D 0.8682
601 RES 0.8681
602 BSA 0.8681
603 36Y 0.8681
604 4GU 0.8679
605 X2M 0.8677
606 JMG 0.8677
607 4NM 0.8675
608 FER 0.8675
609 492 0.8673
610 XDE 0.8672
611 W23 0.8672
612 KP2 0.8671
613 4JQ 0.8671
614 SSC 0.8670
615 PPT 0.8670
616 F1X 0.8668
617 HSA 0.8668
618 MQN 0.8667
619 S0G 0.8666
620 OW4 0.8664
621 S8A 0.8664
622 BY5 0.8664
623 1X4 0.8663
624 P7Y 0.8663
625 DCZ 0.8663
626 F9Y 0.8661
627 2J1 0.8661
628 5V7 0.8660
629 774 0.8660
630 4MU 0.8660
631 8U3 0.8660
632 DBS 0.8660
633 DHY 0.8660
634 FTV 0.8659
635 CX6 0.8658
636 5RN 0.8658
637 4G2 0.8658
638 A5Q 0.8658
639 UFO 0.8657
640 BBY 0.8652
641 ZYV 0.8652
642 TIA 0.8652
643 M6Z 0.8651
644 GC2 0.8650
645 6J9 0.8649
646 H7S 0.8648
647 PIM 0.8647
648 4P5 0.8647
649 4ZA 0.8645
650 P81 0.8645
651 V2Z 0.8643
652 MMS 0.8643
653 HHH 0.8642
654 2PK 0.8642
655 HA6 0.8642
656 F40 0.8641
657 M3E 0.8640
658 4SX 0.8640
659 3C5 0.8639
660 A29 0.8639
661 PA5 0.8639
662 NVU 0.8639
663 MQB 0.8634
664 78P 0.8634
665 8CC 0.8634
666 4CN 0.8633
667 6R8 0.8631
668 ES2 0.8629
669 27M 0.8628
670 3Y7 0.8628
671 IQZ 0.8626
672 3SU 0.8623
673 Q9T 0.8623
674 5SP 0.8622
675 SOJ 0.8621
676 BEA 0.8620
677 49O 0.8618
678 CUQ 0.8617
679 1DR 0.8616
680 LUM 0.8616
681 BPU 0.8614
682 PH3 0.8612
683 5QY 0.8612
684 4VY 0.8610
685 3PF 0.8610
686 4HB 0.8609
687 HFA 0.8603
688 AMH 0.8602
689 7QD 0.8602
690 NFZ 0.8602
691 5LD 0.8601
692 3D1 0.8600
693 J5I 0.8595
694 GXD 0.8591
695 A9B 0.8590
696 2J2 0.8590
697 PO6 0.8590
698 DT9 0.8590
699 5OO 0.8589
700 DNQ 0.8587
701 P93 0.8586
702 TGX 0.8585
703 HQD 0.8585
704 HDH 0.8583
705 REL 0.8582
706 P4L 0.8582
707 THM 0.8581
708 K68 0.8581
709 ERZ 0.8581
710 D48 0.8580
711 2PV 0.8578
712 JA8 0.8578
713 G3E 0.8578
714 OVP 0.8577
715 1XS 0.8576
716 MUK 0.8574
717 259 0.8573
718 HRD 0.8572
719 Y0V 0.8571
720 M1Z 0.8571
721 W29 0.8570
722 1P8 0.8570
723 GHM 0.8569
724 K44 0.8569
725 3R6 0.8564
726 2UD 0.8564
727 2FY 0.8563
728 ES5 0.8562
729 2BX 0.8561
730 N9J 0.8556
731 I4D 0.8554
732 XRS 0.8552
733 PIY 0.8550
734 TWO 0.8550
735 MNP 0.8548
736 505 0.8548
737 14W 0.8544
738 44V 0.8544
739 VFM 0.8540
740 SWX 0.8537
741 LNR 0.8536
742 H42 0.8536
743 4ME 0.8535
744 B62 0.8530
745 CLW 0.8524
746 PAU 0.8523
747 OCH 0.8520
748 COU 0.8515
749 VGD 0.8510
750 Q8G 0.8509
751 FLC 0.8508
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4UYE; Ligand: 9F9; Similar sites found with APoc: 4
This union binding pocket(no: 1) in the query (biounit: 4uye.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 4YC9 4C1 35.5932
2 6J3O B4L 38.1356
3 5MLJ 9ST 40.1786
4 5ML0 P2L 45.4545
Pocket No.: 2; Query (leader) PDB : 4UYE; Ligand: 9F9; Similar sites found with APoc: 7
This union binding pocket(no: 2) in the query (biounit: 4uye.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 6J3P B8O 38.1356
2 6J3O B4L 38.1356
3 6J3P B8O 38.1356
4 5TPX 7H7 38.9831
5 5MLJ 9ST 40.1786
6 5MLJ 9ST 40.1786
7 5ML0 P2L 45.4545
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