Receptor
PDB id Resolution Class Description Source Keywords
5WI1 1.99 Å EC: 2.4.2.12 CRYSTAL STRUCTURE OF HUMAN NAMPT WITH FRAGMENT 5: (3E)-3- [(PHENYLAMINO)METHYLIDENE]OXAN-2-ONE HOMO SAPIENS NAMPT INHIBITOR TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: FRAGMENT-BASED DISCOVERY OF A POTENT NAMPT INHIBITO BIOORG. MED. CHEM. LETT. V. 28 437 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AOY B:501;
A:901;
 Valid;
Valid;
 none;
none;
 ic50 = 10 uM
203.237 C12 H13 N O2 c1ccc...
SO4 A:902;
B:502;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4O12 2.5 Å EC: 2.4.2.12 STRUCTURAL AND BIOCHEMICAL ANALYSES OF THE CATALYSIS AND POT IMPACT OF INHIBITOR PHOSPHORIBOSYLATION BY HUMAN NICOTINAMIP HOSPHORIBOSYLTRANSFERASE HOMO SAPIENS TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: STRUCTURAL AND BIOCHEMICAL ANALYSES OF THE CATALYSI POTENCY IMPACT OF INHIBITOR PHOSPHORIBOSYLATION BY NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE. CHEMBIOCHEM V. 15 1121 2014
Members (48)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4O0Z ic50 = 0.057 uM 2RM C22 H16 F2 N2 O3 S c1cc2ccc(c....
2 5KIT ic50 = 0.013 uM 6TA C21 H30 N4 O3 CC(C)(C)OC....
3 3DKJ - UNU C7 H7 N O c1ccc(cc1)....
4 4L4L - 1XC C26 H25 F2 N3 O10 P S c1cc(ccc1C....
5 2GVG - NMN C11 H16 N2 O8 P c1cc(c[n+]....
6 4LVB - 20N C12 H14 N2 O2 CC(=O)Nc1c....
7 4N9D ic50 = 0.019 uM 2HJ C23 H25 N3 O3 S CC(C)(C)c1....
8 4M6P ic50 = 0.054 uM 20R C20 H16 N4 O3 S c1ccc(cc1)....
9 4LVG - 20O C21 H18 N2 O3 S c1ccc(cc1)....
10 4O10 ic50 = 0.078 uM 2QF C22 H16 F2 N2 O3 S c1cc2cc(cc....
11 4O28 ic50 = 0.029 uM 1QS C21 H15 F2 N3 O3 S c1cc(ccc1C....
12 4LV9 - 20J C8 H7 Cl N2 O2 S CC1=Nc2ccc....
13 3DKL - PRP C5 H13 O14 P3 C([C@@H]1[....
14 4LVD - 1EB C10 H10 N2 O3 c1cc(ccc1N....
15 2H3D - NMN C11 H16 N2 O8 P c1cc(c[n+]....
16 4O1B ic50 = 0.385 uM DGB C24 H29 N3 O2 c1ccc(cc1)....
17 5NSD - 96Q C35 H29 F3 N4 O3 c1cc(ccc1c....
18 4O13 ic50 = 0.015 uM 2P1 C21 H15 F3 N4 O3 S c1cc(cc(c1....
19 4JR5 ic50 = 0.007 uM 1LS C18 H22 N4 O2 S2 c1cc(cnc1)....
20 3DGR - A12 C11 H17 N5 O9 P2 c1nc(c2c(n....
21 2E5C - PRP C5 H13 O14 P3 C([C@@H]1[....
22 4LTS ic50 = 4.4 nM LTS C21 H16 F3 N5 O3 S c1cc(cc(c1....
23 5U2N - 7TA C23 H26 N4 O2 CC(C)C(=O)....
24 4JNM ic50 = 3 nM 1LJ C19 H18 N4 O3 S c1ccc(cc1)....
25 4N9C Kd = 126 uM 2ZM C7 H5 N3 O2 c1cc2c(cc1....
26 4KFO - 1QS C21 H15 F2 N3 O3 S c1cc(ccc1C....
27 4L4M ic50 = 0.01 uM 1XD C21 H15 F2 N3 O3 S c1cc(ccc1C....
28 3DHD - NMN C11 H16 N2 O8 P c1cc(c[n+]....
29 4O12 ic50 = 0.002 uM 2QG C19 H22 Cl N5 O c1cc(ccc1O....
30 4M6Q ic50 = 0.0061 uM 20T C26 H24 F3 N4 O10 P S c1cc(cc(c1....
31 4KFN - 1QR C20 H22 N4 O3 S c1cc(ccc1C....
32 2E5D - NCA C6 H6 N2 O c1cc(cnc1)....
33 4WQ6 ic50 = 0.026 uM 3TQ C24 H29 N3 O3 S CC(C)CN1CC....
34 4O15 ic50 = 0.095 uM 2P1 C21 H15 F3 N4 O3 S c1cc(cc(c1....
35 4O1D ic50 = 0.024 uM DGB C24 H29 N3 O2 c1ccc(cc1)....
36 5UPF Ki = 2.5 nM 8HV C24 H26 F N3 O3 CC(C)(C(=O....
37 4LVF - 20P C15 H14 N2 O c1ccc(cc1)....
38 4LWW ic50 = 29 nM LWW C21 H17 N3 O3 S c1ccc(cc1)....
39 5UPE Ki = 9 nM 8HY C25 H23 N3 O2 c1ccc(cc1)....
40 3DHF - NMN C11 H16 N2 O8 P c1cc(c[n+]....
41 4LVA - 20M C22 H28 N6 O4 S2 c1cc(ccc1C....
42 4O16 - 1XC C26 H25 F2 N3 O10 P S c1cc(ccc1C....
43 6PEB ic50 = 2.7 nM OE4 C24 H20 N4 O3 c1ccc2c(c1....
44 5WI0 ic50 = 360 uM AQ1 C13 H14 F N3 O CCCC1=CC(=....
45 4N9E ic50 = 0.015 uM 2HL C26 H25 N5 O2 c1ccc(cc1)....
46 5U2M - 7T7 C21 H23 N3 O3 c1ccc2c(c1....
47 5WI1 ic50 = 10 uM AOY C12 H13 N O2 c1ccc(cc1)....
48 4KFP ic50 = 0.01 uM 1R7 C25 H30 N4 O4 S c1cc(ccc1C....
70% Homology Family (48)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4O0Z ic50 = 0.057 uM 2RM C22 H16 F2 N2 O3 S c1cc2ccc(c....
2 5KIT ic50 = 0.013 uM 6TA C21 H30 N4 O3 CC(C)(C)OC....
3 3DKJ - UNU C7 H7 N O c1ccc(cc1)....
4 4L4L - 1XC C26 H25 F2 N3 O10 P S c1cc(ccc1C....
5 2GVG - NMN C11 H16 N2 O8 P c1cc(c[n+]....
6 4LVB - 20N C12 H14 N2 O2 CC(=O)Nc1c....
7 4N9D ic50 = 0.019 uM 2HJ C23 H25 N3 O3 S CC(C)(C)c1....
8 4M6P ic50 = 0.054 uM 20R C20 H16 N4 O3 S c1ccc(cc1)....
9 4LVG - 20O C21 H18 N2 O3 S c1ccc(cc1)....
10 4O10 ic50 = 0.078 uM 2QF C22 H16 F2 N2 O3 S c1cc2cc(cc....
11 4O28 ic50 = 0.029 uM 1QS C21 H15 F2 N3 O3 S c1cc(ccc1C....
12 4LV9 - 20J C8 H7 Cl N2 O2 S CC1=Nc2ccc....
13 3DKL - PRP C5 H13 O14 P3 C([C@@H]1[....
14 4LVD - 1EB C10 H10 N2 O3 c1cc(ccc1N....
15 2H3D - NMN C11 H16 N2 O8 P c1cc(c[n+]....
16 4O1B ic50 = 0.385 uM DGB C24 H29 N3 O2 c1ccc(cc1)....
17 5NSD - 96Q C35 H29 F3 N4 O3 c1cc(ccc1c....
18 4O13 ic50 = 0.015 uM 2P1 C21 H15 F3 N4 O3 S c1cc(cc(c1....
19 4JR5 ic50 = 0.007 uM 1LS C18 H22 N4 O2 S2 c1cc(cnc1)....
20 3DGR - A12 C11 H17 N5 O9 P2 c1nc(c2c(n....
21 2E5C - PRP C5 H13 O14 P3 C([C@@H]1[....
22 4LTS ic50 = 4.4 nM LTS C21 H16 F3 N5 O3 S c1cc(cc(c1....
23 5U2N - 7TA C23 H26 N4 O2 CC(C)C(=O)....
24 4JNM ic50 = 3 nM 1LJ C19 H18 N4 O3 S c1ccc(cc1)....
25 4N9C Kd = 126 uM 2ZM C7 H5 N3 O2 c1cc2c(cc1....
26 4KFO - 1QS C21 H15 F2 N3 O3 S c1cc(ccc1C....
27 4L4M ic50 = 0.01 uM 1XD C21 H15 F2 N3 O3 S c1cc(ccc1C....
28 3DHD - NMN C11 H16 N2 O8 P c1cc(c[n+]....
29 4O12 ic50 = 0.002 uM 2QG C19 H22 Cl N5 O c1cc(ccc1O....
30 4M6Q ic50 = 0.0061 uM 20T C26 H24 F3 N4 O10 P S c1cc(cc(c1....
31 4KFN - 1QR C20 H22 N4 O3 S c1cc(ccc1C....
32 2E5D - NCA C6 H6 N2 O c1cc(cnc1)....
33 4WQ6 ic50 = 0.026 uM 3TQ C24 H29 N3 O3 S CC(C)CN1CC....
34 4O15 ic50 = 0.095 uM 2P1 C21 H15 F3 N4 O3 S c1cc(cc(c1....
35 4O1D ic50 = 0.024 uM DGB C24 H29 N3 O2 c1ccc(cc1)....
36 5UPF Ki = 2.5 nM 8HV C24 H26 F N3 O3 CC(C)(C(=O....
37 4LVF - 20P C15 H14 N2 O c1ccc(cc1)....
38 4LWW ic50 = 29 nM LWW C21 H17 N3 O3 S c1ccc(cc1)....
39 5UPE Ki = 9 nM 8HY C25 H23 N3 O2 c1ccc(cc1)....
40 3DHF - NMN C11 H16 N2 O8 P c1cc(c[n+]....
41 4LVA - 20M C22 H28 N6 O4 S2 c1cc(ccc1C....
42 4O16 - 1XC C26 H25 F2 N3 O10 P S c1cc(ccc1C....
43 6PEB ic50 = 2.7 nM OE4 C24 H20 N4 O3 c1ccc2c(c1....
44 5WI0 ic50 = 360 uM AQ1 C13 H14 F N3 O CCCC1=CC(=....
45 4N9E ic50 = 0.015 uM 2HL C26 H25 N5 O2 c1ccc(cc1)....
46 5U2M - 7T7 C21 H23 N3 O3 c1ccc2c(c1....
47 5WI1 ic50 = 10 uM AOY C12 H13 N O2 c1ccc(cc1)....
48 4KFP ic50 = 0.01 uM 1R7 C25 H30 N4 O4 S c1cc(ccc1C....
50% Homology Family (48)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4O0Z ic50 = 0.057 uM 2RM C22 H16 F2 N2 O3 S c1cc2ccc(c....
2 5KIT ic50 = 0.013 uM 6TA C21 H30 N4 O3 CC(C)(C)OC....
3 3DKJ - UNU C7 H7 N O c1ccc(cc1)....
4 4L4L - 1XC C26 H25 F2 N3 O10 P S c1cc(ccc1C....
5 2GVG - NMN C11 H16 N2 O8 P c1cc(c[n+]....
6 4LVB - 20N C12 H14 N2 O2 CC(=O)Nc1c....
7 4N9D ic50 = 0.019 uM 2HJ C23 H25 N3 O3 S CC(C)(C)c1....
8 4M6P ic50 = 0.054 uM 20R C20 H16 N4 O3 S c1ccc(cc1)....
9 4LVG - 20O C21 H18 N2 O3 S c1ccc(cc1)....
10 4O10 ic50 = 0.078 uM 2QF C22 H16 F2 N2 O3 S c1cc2cc(cc....
11 4O28 ic50 = 0.029 uM 1QS C21 H15 F2 N3 O3 S c1cc(ccc1C....
12 4LV9 - 20J C8 H7 Cl N2 O2 S CC1=Nc2ccc....
13 3DKL - PRP C5 H13 O14 P3 C([C@@H]1[....
14 4LVD - 1EB C10 H10 N2 O3 c1cc(ccc1N....
15 2H3D - NMN C11 H16 N2 O8 P c1cc(c[n+]....
16 4O1B ic50 = 0.385 uM DGB C24 H29 N3 O2 c1ccc(cc1)....
17 5NSD - 96Q C35 H29 F3 N4 O3 c1cc(ccc1c....
18 4O13 ic50 = 0.015 uM 2P1 C21 H15 F3 N4 O3 S c1cc(cc(c1....
19 4JR5 ic50 = 0.007 uM 1LS C18 H22 N4 O2 S2 c1cc(cnc1)....
20 3DGR - A12 C11 H17 N5 O9 P2 c1nc(c2c(n....
21 2E5C - PRP C5 H13 O14 P3 C([C@@H]1[....
22 4LTS ic50 = 4.4 nM LTS C21 H16 F3 N5 O3 S c1cc(cc(c1....
23 5U2N - 7TA C23 H26 N4 O2 CC(C)C(=O)....
24 4JNM ic50 = 3 nM 1LJ C19 H18 N4 O3 S c1ccc(cc1)....
25 4N9C Kd = 126 uM 2ZM C7 H5 N3 O2 c1cc2c(cc1....
26 4KFO - 1QS C21 H15 F2 N3 O3 S c1cc(ccc1C....
27 4L4M ic50 = 0.01 uM 1XD C21 H15 F2 N3 O3 S c1cc(ccc1C....
28 3DHD - NMN C11 H16 N2 O8 P c1cc(c[n+]....
29 4O12 ic50 = 0.002 uM 2QG C19 H22 Cl N5 O c1cc(ccc1O....
30 4M6Q ic50 = 0.0061 uM 20T C26 H24 F3 N4 O10 P S c1cc(cc(c1....
31 4KFN - 1QR C20 H22 N4 O3 S c1cc(ccc1C....
32 2E5D - NCA C6 H6 N2 O c1cc(cnc1)....
33 4WQ6 ic50 = 0.026 uM 3TQ C24 H29 N3 O3 S CC(C)CN1CC....
34 4O15 ic50 = 0.095 uM 2P1 C21 H15 F3 N4 O3 S c1cc(cc(c1....
35 4O1D ic50 = 0.024 uM DGB C24 H29 N3 O2 c1ccc(cc1)....
36 5UPF Ki = 2.5 nM 8HV C24 H26 F N3 O3 CC(C)(C(=O....
37 4LVF - 20P C15 H14 N2 O c1ccc(cc1)....
38 4LWW ic50 = 29 nM LWW C21 H17 N3 O3 S c1ccc(cc1)....
39 5UPE Ki = 9 nM 8HY C25 H23 N3 O2 c1ccc(cc1)....
40 3DHF - NMN C11 H16 N2 O8 P c1cc(c[n+]....
41 4LVA - 20M C22 H28 N6 O4 S2 c1cc(ccc1C....
42 4O16 - 1XC C26 H25 F2 N3 O10 P S c1cc(ccc1C....
43 6PEB ic50 = 2.7 nM OE4 C24 H20 N4 O3 c1ccc2c(c1....
44 5WI0 ic50 = 360 uM AQ1 C13 H14 F N3 O CCCC1=CC(=....
45 4N9E ic50 = 0.015 uM 2HL C26 H25 N5 O2 c1ccc(cc1)....
46 5U2M - 7T7 C21 H23 N3 O3 c1ccc2c(c1....
47 5WI1 ic50 = 10 uM AOY C12 H13 N O2 c1ccc(cc1)....
48 4KFP ic50 = 0.01 uM 1R7 C25 H30 N4 O4 S c1cc(ccc1C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: AOY; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 AOY 1 1
2 A51 0.755556 0.864865
Similar Ligands (3D)
Ligand no: 1; Ligand: AOY; Similar ligands found: 506
No: Ligand Similarity coefficient
1 11X 0.9634
2 F18 0.9564
3 3IP 0.9563
4 MJW 0.9559
5 ZRK 0.9537
6 848 0.9535
7 0SY 0.9534
8 U13 0.9504
9 9JT 0.9484
10 LR2 0.9455
11 3D8 0.9447
12 12R 0.9442
13 C4E 0.9428
14 S0D 0.9425
15 ZRL 0.9418
16 1YO 0.9416
17 GNW 0.9383
18 FY8 0.9358
19 2M7 0.9347
20 CBE 0.9346
21 XCG 0.9322
22 68B 0.9320
23 OJD 0.9295
24 MR6 0.9294
25 RE4 0.9293
26 UAY 0.9280
27 H35 0.9268
28 TPM 0.9258
29 TOH 0.9256
30 TMG 0.9252
31 EMU 0.9245
32 20D 0.9238
33 6H2 0.9234
34 GJB 0.9231
35 0ON 0.9224
36 ARG 0.9217
37 DFL 0.9216
38 LVP 0.9213
39 D8Y 0.9211
40 KLS 0.9208
41 EAT 0.9206
42 LJ1 0.9203
43 XIF XYP 0.9201
44 P4T 0.9199
45 MUK 0.9192
46 833 0.9192
47 4ZF 0.9191
48 LZ5 0.9188
49 NW1 0.9185
50 4GU 0.9183
51 LJ2 0.9182
52 FZM 0.9177
53 2D2 0.9171
54 QME 0.9167
55 KPV 0.9164
56 245 0.9156
57 MR4 0.9154
58 0UL 0.9153
59 OLU 0.9152
60 B5A 0.9150
61 JCZ 0.9150
62 FHV 0.9149
63 5VU 0.9146
64 SB7 0.9145
65 ZEZ 0.9144
66 SZ5 0.9143
67 3F4 0.9142
68 38E 0.9140
69 XYP XDN 0.9139
70 WCU 0.9132
71 KYN 0.9127
72 397 0.9123
73 EQA 0.9120
74 XYP XYP 0.9116
75 6J5 0.9112
76 F40 0.9110
77 YIP 0.9106
78 AVX 0.9106
79 1V1 0.9103
80 NKI 0.9096
81 RGK 0.9091
82 XIL 0.9089
83 XDL XYP 0.9089
84 ZEA 0.9083
85 ZIP 0.9080
86 5ER 0.9079
87 5S9 0.9078
88 G30 0.9077
89 9PL 0.9076
90 WA1 0.9075
91 GB5 0.9073
92 0X2 0.9072
93 X48 0.9071
94 XYP XIF 0.9070
95 AUY 0.9066
96 0OP 0.9065
97 ERZ 0.9059
98 STL 0.9056
99 MHB 0.9055
100 IEE 0.9053
101 25F 0.9053
102 A73 0.9044
103 MR5 0.9043
104 4Z1 0.9043
105 7L4 0.9042
106 BVS 0.9042
107 47V 0.9041
108 XYS XYS 0.9041
109 PIQ 0.9041
110 DAH 0.9040
111 NK5 0.9038
112 6C8 0.9033
113 1Q4 0.9033
114 DAR 0.9030
115 9CE 0.9028
116 WA2 0.9027
117 XI7 0.9027
118 0DF 0.9025
119 FF2 0.9023
120 TRP 0.9022
121 SZ7 0.9022
122 JF8 0.9021
123 LI7 0.9020
124 4CN 0.9019
125 E3X 0.9017
126 GB4 0.9016
127 7EH 0.9016
128 P2L 0.9016
129 2PK 0.9010
130 6MW 0.9010
131 CIR 0.9007
132 2QU 0.9007
133 2PV 0.9007
134 NPI 0.9002
135 2LT 0.9000
136 FYR 0.8999
137 6DQ 0.8997
138 L2K 0.8997
139 2JX 0.8995
140 DHC 0.8995
141 3WK 0.8994
142 QIV 0.8994
143 DXK 0.8994
144 IOP 0.8991
145 TYR 0.8989
146 IDZ 0.8986
147 78Y 0.8986
148 S0A 0.8981
149 C0H 0.8979
150 E9S 0.8979
151 A9B 0.8978
152 XYS XYP 0.8977
153 IW1 0.8975
154 CMG 0.8973
155 M3W 0.8973
156 5E5 0.8970
157 5WK 0.8968
158 WLH 0.8967
159 FER 0.8965
160 94X 0.8965
161 JF5 0.8963
162 MMJ 0.8961
163 6FG 0.8960
164 S7V 0.8957
165 2FX 0.8956
166 RSV 0.8956
167 P4L 0.8954
168 G14 0.8952
169 API 0.8950
170 6CL 0.8950
171 Z70 0.8950
172 0NJ 0.8950
173 XDN XYP 0.8949
174 6C5 0.8949
175 AX5 0.8946
176 5B2 0.8946
177 5TO 0.8945
178 LI4 0.8944
179 NIY 0.8944
180 4FF 0.8943
181 3VQ 0.8943
182 PUE 0.8942
183 3IL 0.8941
184 SQM 0.8940
185 FCW 0.8938
186 6P3 0.8938
187 YE6 0.8938
188 0FR 0.8934
189 SCE 0.8931
190 8M5 0.8930
191 N9J 0.8929
192 BZM 0.8926
193 0XR 0.8925
194 MLY 0.8924
195 LR8 0.8919
196 GJK 0.8919
197 6SD 0.8917
198 7FZ 0.8917
199 ZTW 0.8917
200 ZYQ 0.8916
201 UN4 0.8916
202 ZZA 0.8915
203 P93 0.8913
204 EQW 0.8913
205 2P3 0.8912
206 TZP 0.8910
207 KWB 0.8909
208 HAR 0.8908
209 3WN 0.8907
210 3WO 0.8907
211 28A 0.8907
212 S8G 0.8906
213 NE2 0.8904
214 4AU 0.8903
215 4G2 0.8903
216 1A5 0.8901
217 4FP 0.8901
218 LJ3 0.8899
219 NQ7 0.8897
220 HHV 0.8896
221 VT3 0.8894
222 A5Q 0.8894
223 D4G 0.8894
224 RE2 0.8894
225 H4B 0.8893
226 6C9 0.8892
227 NAL 0.8890
228 TB8 0.8887
229 MXD 0.8887
230 37E 0.8887
231 3D3 0.8887
232 6BK 0.8886
233 I2E 0.8883
234 A63 0.8883
235 7G0 0.8881
236 1HP 0.8878
237 697 0.8877
238 1V4 0.8875
239 PRL 0.8875
240 GGB 0.8875
241 4FE 0.8875
242 BP7 0.8874
243 ENO 0.8871
244 1V8 0.8870
245 JAH 0.8868
246 0K7 0.8868
247 27F 0.8865
248 A5H 0.8863
249 KLE 0.8862
250 4BX 0.8861
251 2QV 0.8859
252 BVB 0.8857
253 EYJ 0.8856
254 4F8 0.8854
255 ODK 0.8852
256 QUB 0.8850
257 7ZO 0.8850
258 3GX 0.8850
259 08C 0.8849
260 IW4 0.8849
261 D9Z 0.8847
262 1KN 0.8846
263 CX6 0.8845
264 BMC 0.8843
265 F63 0.8841
266 7ZL 0.8837
267 G2V 0.8836
268 DBS 0.8833
269 AP6 0.8832
270 JMG 0.8831
271 S8P 0.8831
272 FUZ 0.8831
273 H2B 0.8830
274 RDM 0.8827
275 ZYC 0.8826
276 97K 0.8826
277 5NN 0.8823
278 3CX 0.8823
279 4HB 0.8821
280 NXB 0.8821
281 1XS 0.8820
282 K0G 0.8817
283 BSU 0.8815
284 ZSP 0.8813
285 NU3 0.8810
286 ZHA 0.8809
287 CMU 0.8809
288 DMB 0.8809
289 9BF 0.8806
290 HXY 0.8806
291 DTR 0.8805
292 4TB 0.8804
293 XYP XYS 0.8804
294 1PS 0.8803
295 HC4 0.8803
296 6C4 0.8800
297 26C 0.8798
298 3VS 0.8798
299 AHR AHR 0.8796
300 28B 0.8791
301 PCQ 0.8790
302 7G2 0.8790
303 M5P 0.8786
304 3KJ 0.8786
305 JGB 0.8786
306 2J1 0.8785
307 1Q1 0.8783
308 LUM 0.8782
309 4Z0 0.8780
310 MBP 0.8778
311 TH1 0.8776
312 Q5M 0.8775
313 HBI 0.8775
314 8CV 0.8775
315 2WU 0.8775
316 IMK 0.8774
317 A6W 0.8774
318 M3L 0.8774
319 C0W 0.8773
320 IIH 0.8772
321 X2M 0.8771
322 TCC 0.8771
323 TID 0.8770
324 6FB 0.8769
325 2GQ 0.8769
326 LPA 0.8767
327 LTN 0.8764
328 5FL 0.8764
329 0OK 0.8763
330 KF5 0.8763
331 CDJ 0.8763
332 PQS 0.8761
333 363 0.8761
334 M4N 0.8761
335 JX7 0.8760
336 0QV 0.8760
337 Q2S 0.8758
338 TJM 0.8756
339 P80 0.8752
340 8CC 0.8752
341 5WN 0.8752
342 YOF 0.8752
343 ONZ 0.8750
344 H2W 0.8750
345 92O 0.8748
346 2L1 0.8748
347 91F 0.8747
348 4AB 0.8747
349 Q4G 0.8747
350 K80 0.8747
351 IDD 0.8742
352 JNW 0.8741
353 E9L 0.8739
354 56N 0.8739
355 P81 0.8737
356 UL1 0.8736
357 N9M 0.8736
358 B4L 0.8735
359 DA2 0.8734
360 4Z9 0.8734
361 NFZ 0.8732
362 3VW 0.8732
363 EES 0.8731
364 GVY 0.8729
365 2L2 0.8729
366 AQ1 0.8727
367 DZ1 0.8726
368 W8L 0.8724
369 LOT 0.8721
370 1ZC 0.8720
371 5P3 0.8720
372 L12 0.8719
373 BGU 0.8716
374 H75 0.8716
375 QC1 0.8716
376 8KW 0.8713
377 EDG AHR 0.8711
378 EYY 0.8710
379 FCD 0.8710
380 PIT 0.8709
381 AVA 0.8708
382 6L6 0.8708
383 PLP 0.8707
384 HPP 0.8707
385 U14 0.8705
386 92G 0.8702
387 C53 0.8700
388 5OR 0.8700
389 Y3L 0.8700
390 IQQ 0.8697
391 1BY 0.8696
392 26P 0.8696
393 RKV 0.8696
394 S98 0.8696
395 WV7 0.8695
396 LJ5 0.8694
397 K7H 0.8690
398 PQM 0.8690
399 SJR 0.8689
400 5AD 0.8688
401 GO2 0.8688
402 L5D 0.8686
403 HPZ 0.8683
404 AGI 0.8682
405 57D 0.8681
406 BSA 0.8681
407 IYR 0.8680
408 BQ2 0.8679
409 IW2 0.8679
410 6Q3 0.8678
411 G6P 0.8677
412 FBC 0.8676
413 1DR 0.8675
414 4AF 0.8674
415 5F8 0.8672
416 6J3 0.8671
417 DE7 0.8668
418 BGP 0.8668
419 CDX 0.8668
420 HRG 0.8667
421 ARJ 0.8665
422 PLR 0.8663
423 SNV 0.8663
424 5C1 0.8661
425 GZV 0.8660
426 5TU 0.8660
427 HRM 0.8659
428 4KJ 0.8659
429 PBA 0.8658
430 3VX 0.8658
431 HH6 0.8657
432 DUR 0.8655
433 5H6 0.8653
434 XEV 0.8652
435 GHQ 0.8648
436 613 0.8647
437 JGY 0.8644
438 S1D 0.8644
439 B21 0.8643
440 BG6 0.8642
441 D25 0.8641
442 GAT 0.8641
443 S0W 0.8640
444 JSX 0.8637
445 FT2 0.8636
446 VBC 0.8636
447 8D6 0.8635
448 C82 0.8632
449 3N0 0.8632
450 GA2 0.8631
451 0NX 0.8631
452 S0B 0.8629
453 NOC 0.8628
454 PPY 0.8628
455 U4J 0.8627
456 CNI 0.8627
457 JFS 0.8626
458 HL4 0.8626
459 5BX 0.8624
460 2HC 0.8624
461 B1J 0.8619
462 3JC 0.8619
463 HRX 0.8615
464 041 0.8610
465 6ZX 0.8609
466 BDI 0.8608
467 1V3 0.8607
468 ITE 0.8604
469 NEO 0.8603
470 SWX 0.8601
471 8V8 0.8599
472 BZE 0.8599
473 4RG 0.8597
474 5O6 0.8590
475 FQX 0.8589
476 CHQ 0.8589
477 ALE 0.8588
478 BXS 0.8585
479 X6W 0.8581
480 EDZ 0.8580
481 OOG 0.8574
482 1FL 0.8570
483 0OM 0.8567
484 ENW 0.8566
485 9X3 0.8564
486 6QT 0.8563
487 S60 0.8556
488 5M2 0.8556
489 IJ6 0.8556
490 HWH 0.8554
491 FC2 0.8554
492 801 0.8551
493 NXY 0.8548
494 RCV 0.8547
495 SYE 0.8546
496 NX1 0.8541
497 0QA 0.8540
498 L1T 0.8538
499 5V7 0.8537
500 HCI 0.8536
501 SFY 0.8532
502 MP5 0.8530
503 S2C 0.8530
504 GO8 0.8519
505 ESJ 0.8516
506 M77 0.8516
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4O12; Ligand: 2QG; 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: 4o12.bio1) has 107 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4O12; Ligand: 2QG; 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: 4o12.bio1) has 126 residues
No: Leader PDB Ligand Sequence Similarity
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