Receptor
PDB id Resolution Class Description Source Keywords
4LV9 1.81 Å EC: 2.4.2.12 FRAGMENT-BASED IDENTIFICATION OF AMIDES DERIVED FROM TRANS-2 3-YL)CYCLOPROPANECARBOXYLIC ACID AS POTENT INHIBITORS OF HUN ICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) HOMO SAPIENS TRANSFERASE TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: IDENTIFICATION OF AMIDES DERIVED FROM 1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLIC ACID AS POT INHIBITORS OF HUMAN NICOTINAMIDE PHOSPHORIBOSYLTRAN (NAMPT). BIOORG.MED.CHEM.LETT. V. 23 5488 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
20J B:602;
A:602;
B:601;
A:601;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
230.671 C8 H7 Cl N2 O2 S CC1=N...
PO4 A:604;
B:604;
B:603;
A:603;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
EDO A:605;
B:605;
Invalid;
Invalid;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
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: 20J; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 20J 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 20J; Similar ligands found: 649
No: Ligand Similarity coefficient
1 Q71 0.9956
2 B5D 0.9889
3 QX4 0.9680
4 Q77 0.9659
5 DQU 0.9638
6 6ME 0.9619
7 44V 0.9584
8 OTW 0.9581
9 SXS 0.9578
10 XHP 0.9568
11 44W 0.9563
12 0FO 0.9559
13 MVN 0.9496
14 Q7A 0.9489
15 B62 0.9489
16 PH2 0.9456
17 GM7 0.9453
18 GJS 0.9451
19 GZ8 0.9447
20 HHR 0.9447
21 MUA 0.9437
22 QBK 0.9432
23 QAS 0.9411
24 QAT 0.9405
25 MWP 0.9396
26 2FQ 0.9367
27 CLZ 0.9367
28 URC 0.9364
29 4V6 0.9362
30 PX7 0.9355
31 KUF 0.9346
32 8TX 0.9344
33 AQO 0.9336
34 XAZ 0.9328
35 8CM 0.9317
36 MEW 0.9317
37 AJV 0.9314
38 B55 0.9311
39 PE0 0.9309
40 BTY 0.9307
41 M6N 0.9306
42 ZZ8 0.9305
43 KT7 0.9305
44 4HC 0.9302
45 75K 0.9300
46 J9W 0.9296
47 0P6 0.9293
48 M5K 0.9291
49 5JQ 0.9289
50 CWS 0.9287
51 3Z8 0.9285
52 APZ 0.9283
53 AJ2 0.9283
54 0N7 0.9282
55 9R5 0.9279
56 Q24 0.9277
57 ZZZ 0.9276
58 N8Y 0.9274
59 M1Q 0.9271
60 8IG 0.9269
61 2AK 0.9267
62 5JL 0.9260
63 YQA 0.9257
64 LSA 0.9251
65 AZ8 0.9249
66 TGX 0.9249
67 VOH 0.9229
68 PRF 0.9227
69 FDR 0.9227
70 4YO 0.9225
71 HQD 0.9212
72 F12 0.9210
73 GHM 0.9199
74 2K8 0.9190
75 HHS 0.9188
76 4JQ 0.9188
77 6VD 0.9186
78 BPU 0.9184
79 AZ9 0.9182
80 INE 0.9174
81 4MU 0.9174
82 MRW 0.9171
83 DBX 0.9170
84 0TU 0.9170
85 15E 0.9170
86 MQN 0.9160
87 2HQ 0.9157
88 DIN 0.9155
89 EJZ 0.9151
90 BEA 0.9148
91 EYK 0.9141
92 TWO 0.9136
93 DRL 0.9134
94 B60 0.9128
95 A7W 0.9126
96 UFO 0.9125
97 CKX 0.9125
98 PHT 0.9121
99 JG8 0.9119
100 0W8 0.9118
101 2EC 0.9117
102 MO8 0.9116
103 4TU 0.9115
104 MAQ 0.9115
105 3QV 0.9113
106 HJP 0.9103
107 D07 0.9102
108 5VJ 0.9101
109 VK3 0.9093
110 86J 0.9090
111 NID 0.9087
112 EN1 0.9085
113 MOK 0.9084
114 8MO 0.9082
115 7ME 0.9075
116 8WT 0.9072
117 4Z4 0.9071
118 ROI 0.9069
119 344 0.9068
120 RXA 0.9068
121 TOF 0.9068
122 NQ 0.9066
123 J9T 0.9059
124 2LY 0.9057
125 G3E 0.9055
126 DX3 0.9054
127 9DG 0.9054
128 7VS 0.9053
129 NDG 0.9050
130 KLW 0.9050
131 8WO 0.9042
132 ZYR 0.9035
133 FBG 0.9034
134 0FK 0.9033
135 C9E 0.9032
136 SE2 0.9031
137 BGC 0.9031
138 TT4 0.9030
139 K2P 0.9029
140 J5I 0.9020
141 2A9 0.9017
142 K3Q 0.9014
143 GLC 0.9011
144 F6P 0.9008
145 3PF 0.9007
146 QQQ 0.9004
147 9MG 0.9003
148 SRO 0.9002
149 141 0.9001
150 PYQ 0.8998
151 XQ0 0.8998
152 94W 0.8998
153 FBB 0.8997
154 293 0.8996
155 ZB1 0.8993
156 4YS 0.8993
157 YH7 0.8993
158 GUN 0.8993
159 MS9 0.8993
160 60Q 0.8992
161 NTM 0.8992
162 SKM 0.8990
163 D48 0.8990
164 1KP 0.8989
165 1NP 0.8987
166 4ME 0.8986
167 K2T 0.8985
168 UNC 0.8985
169 1SQ 0.8982
170 J01 0.8981
171 0XT 0.8981
172 ORO 0.8980
173 7B4 0.8979
174 8HC 0.8979
175 AZA 0.8977
176 8W9 0.8976
177 4JT 0.8976
178 JBH 0.8976
179 JPZ 0.8975
180 5IQ 0.8975
181 FOT 0.8975
182 39O 0.8974
183 5SG 0.8973
184 PQ0 0.8971
185 8NX 0.8970
186 CWJ 0.8970
187 3HA 0.8969
188 DBH 0.8969
189 GCW 0.8969
190 Z5P 0.8969
191 5Q0 0.8968
192 32X 0.8964
193 5QY 0.8962
194 1LM 0.8962
195 FDB 0.8961
196 TTL 0.8961
197 N5J 0.8960
198 ES1 0.8960
199 E35 0.8960
200 1LQ 0.8960
201 HLZ 0.8959
202 9AP 0.8958
203 HBO 0.8957
204 N2I 0.8955
205 H42 0.8954
206 F2W 0.8954
207 NAG 0.8953
208 5RO 0.8951
209 3MG 0.8950
210 DHQ 0.8950
211 COU 0.8948
212 2AL 0.8945
213 DPZ 0.8944
214 AJY 0.8944
215 O72 0.8943
216 HQY 0.8943
217 OCH 0.8941
218 3GQ 0.8939
219 IGA 0.8937
220 12Q 0.8937
221 I6G 0.8937
222 BK9 0.8937
223 XAN 0.8935
224 H33 0.8935
225 NGT 0.8932
226 NDH 0.8931
227 2D3 0.8931
228 4NO 0.8930
229 CWM 0.8930
230 AZG 0.8930
231 DOB 0.8928
232 DX4 0.8927
233 3TJ 0.8927
234 KYA 0.8924
235 LI6 0.8922
236 BOA 0.8922
237 FA0 0.8922
238 ES5 0.8920
239 JF1 0.8919
240 5QX 0.8919
241 ISN 0.8916
242 97T 0.8916
243 KW8 0.8916
244 329 0.8916
245 LDR 0.8916
246 4M0 0.8915
247 JB5 0.8915
248 ES0 0.8915
249 091 0.8915
250 PEY 0.8914
251 M5N 0.8912
252 3IT 0.8912
253 2ZQ 0.8909
254 BHA 0.8908
255 2AQ 0.8906
256 A29 0.8906
257 KJH 0.8906
258 9KT 0.8905
259 8ZE 0.8904
260 3DO 0.8904
261 IJZ 0.8904
262 G3F 0.8903
263 ES2 0.8902
264 24W 0.8902
265 03V 0.8901
266 6AP 0.8901
267 JBK 0.8899
268 Q6T 0.8899
269 Q88 0.8897
270 1P8 0.8897
271 DBJ 0.8896
272 LT8 0.8895
273 7W1 0.8894
274 2KA 0.8894
275 7ZE 0.8894
276 NGA 0.8894
277 5VM 0.8893
278 BZJ 0.8893
279 1P7 0.8892
280 290 0.8890
281 C2Y 0.8890
282 J6W 0.8889
283 J9Q 0.8889
284 R8V 0.8889
285 A2F 0.8889
286 M0Q 0.8889
287 IL5 0.8889
288 7B3 0.8888
289 VXX 0.8887
290 CLW 0.8887
291 HKD 0.8887
292 ADA 0.8886
293 GCS 0.8885
294 5NU 0.8884
295 5NE 0.8884
296 JF2 0.8884
297 KIB 0.8883
298 92P 0.8883
299 KKN 0.8882
300 DNA 0.8882
301 B56 0.8879
302 CTS 0.8878
303 NDM 0.8877
304 VNL 0.8877
305 1XM 0.8876
306 KDV 0.8875
307 OXC 0.8875
308 JND 0.8874
309 UAN 0.8872
310 EV0 0.8872
311 4KL 0.8872
312 GDE 0.8871
313 CH9 0.8870
314 KJY 0.8870
315 42C 0.8869
316 3ID 0.8866
317 5WV 0.8865
318 H5B 0.8864
319 GXY 0.8861
320 ES7 0.8856
321 DHK 0.8856
322 5WY 0.8855
323 3F0 0.8854
324 AP4 0.8853
325 CTL 0.8851
326 IV2 0.8849
327 BDP 0.8848
328 X05 0.8848
329 7W4 0.8848
330 N0Z 0.8847
331 3WA 0.8847
332 GCU 0.8846
333 X0W 0.8846
334 HQT 0.8846
335 ASC 0.8846
336 M0W 0.8846
337 FE DB1 0.8845
338 CFP 0.8844
339 SYA 0.8843
340 6GU 0.8842
341 GJP 0.8842
342 GT0 0.8842
343 5CU 0.8841
344 PQK 0.8840
345 BCP 0.8840
346 NHG 0.8837
347 9FL 0.8836
348 DNF 0.8835
349 TIY 0.8830
350 LT2 0.8828
351 K97 0.8826
352 4RU 0.8826
353 1HN 0.8825
354 AA 0.8825
355 ODO 0.8824
356 L5V 0.8822
357 M1H 0.8822
358 0W1 0.8821
359 GOX 0.8818
360 JU2 0.8817
361 L22 0.8817
362 RM1 0.8817
363 PRZ 0.8812
364 KTW 0.8810
365 GAL 0.8810
366 AKH 0.8809
367 LGC 0.8808
368 15N 0.8808
369 I3A 0.8807
370 4CS 0.8806
371 8S0 0.8806
372 V1T 0.8806
373 NGO 0.8806
374 KJU 0.8804
375 4VS 0.8803
376 4AA 0.8803
377 GZL 0.8802
378 12T 0.8801
379 9CA 0.8801
380 JBQ 0.8801
381 AW5 0.8799
382 R6T 0.8797
383 H7Y 0.8797
384 GTQ 0.8796
385 B53 0.8795
386 HHA 0.8795
387 6R8 0.8793
388 KDO 0.8793
389 5B1 0.8792
390 GTC 0.8791
391 SOR 0.8790
392 NTZ 0.8790
393 JTH 0.8789
394 HXX 0.8786
395 7NI 0.8785
396 TTY 0.8785
397 JYB 0.8785
398 HHT 0.8783
399 PDC 0.8783
400 3DM 0.8782
401 XQK 0.8781
402 XM5 0.8780
403 V55 0.8780
404 0JD 0.8779
405 BZ3 0.8778
406 IPB 0.8777
407 4P0 0.8777
408 DOR 0.8775
409 226 0.8775
410 FLV 0.8775
411 5RG 0.8775
412 OVM 0.8774
413 PXL 0.8774
414 GTR 0.8774
415 FHC 0.8773
416 6NT 0.8772
417 5NS 0.8772
418 54G 0.8772
419 ONR 0.8772
420 PJW 0.8770
421 HMH 0.8770
422 ANF 0.8769
423 G5V 0.8769
424 ESI 0.8769
425 495 0.8767
426 QPR 0.8766
427 WSD 0.8764
428 G12 0.8763
429 06B 0.8762
430 A2G 0.8761
431 6M4 0.8761
432 5M0 0.8761
433 GCB 0.8760
434 APS 0.8759
435 ICO 0.8758
436 6QF 0.8758
437 HH8 0.8758
438 EGR 0.8758
439 1IT 0.8755
440 SX1 0.8755
441 6CS 0.8754
442 GVG 0.8752
443 FDK 0.8752
444 INO 0.8750
445 39U 0.8749
446 TEP 0.8749
447 HLD 0.8748
448 1XN 0.8748
449 28N 0.8747
450 W81 0.8746
451 ZVO 0.8746
452 MT8 0.8745
453 5OB 0.8745
454 FH2 0.8744
455 NCD 0.8744
456 27B 0.8742
457 APG 0.8742
458 JXN 0.8739
459 CIT 0.8738
460 2ZM 0.8737
461 OSB 0.8737
462 LZM 0.8737
463 3NY 0.8737
464 4M4 0.8736
465 JXZ 0.8734
466 SKA 0.8733
467 4A3 0.8732
468 5MK 0.8732
469 3HM 0.8728
470 QSH 0.8728
471 HA7 0.8727
472 G2F 0.8725
473 0GZ 0.8725
474 4BY 0.8724
475 NNO 0.8724
476 GIM 0.8724
477 HH5 0.8723
478 9TZ 0.8723
479 0HO 0.8723
480 XX2 0.8723
481 4NC 0.8723
482 QIC 0.8723
483 MT0 0.8722
484 2H5 0.8722
485 HTP 0.8721
486 5VL 0.8721
487 JR2 0.8719
488 THA 0.8719
489 GI3 0.8718
490 ALL 0.8718
491 MIG 0.8716
492 HIS 0.8716
493 30G 0.8715
494 DHB 0.8714
495 1Z8 0.8713
496 FHB 0.8713
497 DEE 0.8713
498 F31 0.8712
499 PHE 0.8712
500 EVA 0.8711
501 5PX 0.8710
502 NCT 0.8710
503 BGU 0.8710
504 0HN 0.8709
505 AIN 0.8707
506 MYJ 0.8707
507 A13 0.8707
508 6KT 0.8706
509 MAN 0.8705
510 B57 0.8705
511 BPY 0.8702
512 EMZ 0.8701
513 5GU 0.8701
514 GLA 0.8701
515 VGD 0.8700
516 0FN 0.8700
517 N7I 0.8700
518 M3S 0.8699
519 DIU 0.8699
520 68A 0.8699
521 3A9 0.8698
522 CKA 0.8696
523 3J8 0.8694
524 LZ2 0.8693
525 AEZ 0.8693
526 D1X 0.8691
527 E1T 0.8691
528 7MX 0.8690
529 93K 0.8689
530 FGZ 0.8689
531 F0J 0.8689
532 G1O 0.8689
533 KTJ 0.8688
534 37T 0.8686
535 9ZE 0.8685
536 XXP 0.8685
537 LNR 0.8684
538 49N 0.8684
539 ASO 0.8684
540 BMA 0.8684
541 DNC 0.8683
542 FLC 0.8683
543 WS7 0.8680
544 JAW 0.8679
545 3ZB 0.8679
546 173 0.8675
547 2HU 0.8674
548 MVL 0.8673
549 ANC 0.8672
550 64C 0.8672
551 67N 0.8672
552 2GS 0.8667
553 RPQ 0.8667
554 7WR 0.8663
555 8XQ 0.8662
556 8XL 0.8661
557 ZZT 0.8661
558 JVN 0.8661
559 6NI 0.8661
560 GAB 0.8660
561 3HB 0.8660
562 2BG 0.8660
563 ABI 0.8659
564 P9P 0.8659
565 JP2 0.8659
566 4AV 0.8658
567 3R6 0.8658
568 5NI 0.8657
569 SLS 0.8657
570 X0U 0.8657
571 TRC 0.8657
572 X11 0.8656
573 HNT 0.8654
574 SYV 0.8653
575 GAF 0.8652
576 X09 0.8651
577 1F1 0.8650
578 NMJ 0.8650
579 4BL 0.8646
580 AX3 0.8644
581 CHB 0.8641
582 MHK 0.8641
583 OW4 0.8640
584 SG2 0.8639
585 OQC 0.8636
586 HA5 0.8636
587 TH7 0.8636
588 5WX 0.8635
589 ENL 0.8634
590 LKA 0.8633
591 SHA 0.8619
592 GLY PRO 0.8617
593 JDN 0.8613
594 SHG 0.8610
595 F69 0.8610
596 GO8 0.8609
597 ESP 0.8609
598 NLA 0.8609
599 FYU 0.8608
600 2J9 0.8607
601 PHH 0.8607
602 BHO 0.8604
603 CTN 0.8603
604 61M 0.8601
605 7VJ 0.8594
606 2CK 0.8594
607 549 0.8593
608 3FH 0.8592
609 LZB 0.8592
610 3Y7 0.8592
611 ZME 0.8591
612 GO1 0.8591
613 NOJ 0.8588
614 QSB 0.8588
615 XDE 0.8587
616 149 0.8587
617 GYE 0.8586
618 PZI 0.8583
619 B2J 0.8582
620 5XW 0.8581
621 GXL 0.8581
622 A09 0.8580
623 ZYQ 0.8578
624 2FG 0.8578
625 49O 0.8578
626 EXD 0.8572
627 4A5 0.8569
628 BZE 0.8566
629 FSW 0.8562
630 TXW 0.8556
631 LDP 0.8552
632 MS0 0.8552
633 TSS 0.8549
634 EAE 0.8549
635 GIV 0.8547
636 MBG 0.8546
637 4HM 0.8545
638 M5H 0.8544
639 X6X 0.8544
640 BTE 0.8543
641 IHB 0.8539
642 IFP 0.8537
643 H05 0.8537
644 7I2 0.8535
645 HPA 0.8534
646 QNA 0.8534
647 4XV 0.8523
648 1Z6 0.8518
649 PD2 0.8515
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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