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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1QBG | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
2 | 1KBO | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
3 | 3JSX | ic50 = 7.7 nM | CC2 | C22 H18 O3 | Cc1cc2c(cc.... |
4 | 1KBQ | Ki = 0.45 uM | 936 | C18 H16 N2 O6 | Cc1c(c2c(n.... |
5 | 1H66 | - | RH1 | C12 H14 N2 O3 | CC1=C(C(=O.... |
6 | 4CET | Kd = 428 nM | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
7 | 6LLC | - | EHL | C14 H10 N4 O4 S | Cc1c(c(no1.... |
8 | 1H69 | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
9 | 1D4A | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
10 | 1GG5 | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
11 | 5EA2 | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
12 | 5A4K | Kd = 155 nM | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
13 | 1DXO | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
14 | 1QRD | - | DQN | C10 H12 O2 | CC1=C(C(=O.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 5LBY | - | 6T2 | C26 H29 N5 O2 | CC1(COC1)C.... |
2 | 2QX9 | Kd = 0.7 uM | ML2 | C13 H15 I N2 O2 | CC(=O)NCCc.... |
3 | 3OWX | ic50 = 17600 nM | XRA | C19 H21 N5 O4 | COc1cc2c(c.... |
4 | 3TE7 | ic50 = 59 nM | TE7 | C19 H20 N4 O2 | CN(C)CCNc1.... |
5 | 4U7F | - | K25 | C9 H7 Br4 N3 | CN(C)c1[nH.... |
6 | 3TEM | ic50 = 14 nM | 6A1 | C19 H25 N4 O3 | C[N+](C)(C.... |
7 | 1SG0 | Kd = 35 nM | STL | C14 H12 O3 | c1cc(ccc1C.... |
8 | 1XI2 | ic50 < 1 uM | CB1 | C9 H8 N4 O5 | c1c(c(cc(c.... |
9 | 3O73 | Kd = 19 uM | O73 | C21 H24 N4 O5 | Cc1c(c2c(n.... |
10 | 3UXH | ic50 = 0.061 nM | UXH | C12 H10 Cl N5 O2 | CN1c2c3c(c.... |
11 | 4ZVM | Kd = 274 nM | DM2 | C27 H29 N O11 | C[C@H]1[C@.... |
12 | 3GAM | ic50 = 4.1 uM | MXX | C13 H15 N O3 | CC1=CC(=O).... |
13 | 1QR2 | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
14 | 5LBW | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
15 | 3G5M | ic50 = 54.1 uM | XM5 | C12 H11 N O4 | CN1c2c(ccc.... |
16 | 3UXE | ic50 = 0.0041 uM | 465 | C13 H10 Cl N5 O2 | CN1c2c3c(c.... |
17 | 4ZVN | Kd = 0.36 nM | AO | C17 H20 N3 | CN(C)c1ccc.... |
18 | 4GQI | ic50 = 20.7 uM | M49 | C14 H17 N3 O3 | CC(=O)NCC[.... |
19 | 2QWX | Kd = 1.4 uM | ML1 | C13 H16 N2 O2 | CC(=O)NCCc.... |
20 | 2QX4 | Kd = 1.4 uM | ML1 | C13 H16 N2 O2 | CC(=O)NCCc.... |
21 | 4U7H | Kd = 36.4 nM | K25 | C9 H7 Br4 N3 | CN(C)c1[nH.... |
22 | 2QR2 | - | VK3 | C11 H8 O2 | CC1=CC(=O).... |
23 | 2BZS | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
24 | 3OX1 | ic50 = 7100 nM | 695 | C15 H18 N2 O3 S | CC(=O)NCCc.... |
25 | 2QX8 | Kd = 0.7 uM | ML2 | C13 H15 I N2 O2 | CC(=O)NCCc.... |
26 | 3FW1 | ic50 = 80 nM | STI | C29 H31 N7 O | Cc1ccc(cc1.... |
27 | 4ZVK | - | ET | C21 H20 N3 | CC[n+]1c2c.... |
28 | 3OWH | ic50 = 1900 nM | 52X | C14 H16 I N3 O3 | CC(=O)NCCc.... |
29 | 4ZVL | Kd = 29.4 nM | AO | C17 H20 N3 | CN(C)c1ccc.... |
30 | 5LBZ | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
31 | 3OX3 | ic50 = 11 nM | 4X4 | C21 H18 N4 O3 | COc1ccc2c(.... |
32 | 2QX6 | Kd = 1.4 uM | ML1 | C13 H16 N2 O2 | CC(=O)NCCc.... |
33 | 4U7G | Kd = 18.1 nM | K17 | C7 H2 Br4 N2 | c1[nH]c2c(.... |
34 | 1ZX1 | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
35 | 4GR9 | ic50 = 7 uM | 372 | C13 H13 N3 O2 | CC(=O)Nc1c.... |
36 | 3OX2 | ic50 = 704 nM | 79X | C17 H13 N O4 | COc1cc-2c(.... |
37 | 3OVM | ic50 = 37100 nM | MZC | C14 H17 N3 O3 | CC(=O)NCCc.... |
38 | 1QBG | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
39 | 1KBO | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
40 | 3JSX | ic50 = 7.7 nM | CC2 | C22 H18 O3 | Cc1cc2c(cc.... |
41 | 1KBQ | Ki = 0.45 uM | 936 | C18 H16 N2 O6 | Cc1c(c2c(n.... |
42 | 1H66 | - | RH1 | C12 H14 N2 O3 | CC1=C(C(=O.... |
43 | 4CET | Kd = 428 nM | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
44 | 6LLC | - | EHL | C14 H10 N4 O4 S | Cc1c(c(no1.... |
45 | 1H69 | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
46 | 1D4A | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
47 | 1GG5 | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
48 | 5EA2 | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
49 | 5A4K | Kd = 155 nM | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
50 | 1DXO | - | FAD | C27 H33 N9 O15 P2 | Cc1cc2c(cc.... |
51 | 1QRD | - | DQN | C10 H12 O2 | CC1=C(C(=O.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DQN | 1 | 1 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | FAS | 1 | 1 |
2 | FAD | 1 | 1 |
3 | FAY | 0.859259 | 0.9875 |
4 | RFL | 0.852941 | 0.963855 |
5 | UBG | 0.845588 | 0.987654 |
6 | 6FA | 0.794118 | 0.987654 |
7 | FAE | 0.751773 | 0.987654 |
8 | SFD | 0.651007 | 0.860215 |
9 | FDA | 0.641892 | 0.906977 |
10 | FNK | 0.602564 | 0.876405 |
11 | JNT | 0.598425 | 0.876543 |
12 | FAJ | 0.57485 | 0.97561 |
13 | 62F | 0.572327 | 0.939024 |
14 | F2N | 0.566265 | 0.886364 |
15 | FMN | 0.543307 | 0.876543 |
16 | FA9 | 0.526316 | 0.939759 |
17 | 6YU | 0.516304 | 0.860215 |
18 | CNV FAD | 0.511905 | 0.908046 |
19 | P6G FDA | 0.511628 | 0.908046 |
20 | FAD NBT | 0.508876 | 0.83871 |
21 | A2D | 0.504065 | 0.875 |
22 | DAL FAD PER | 0.491429 | 0.836957 |
23 | P5F | 0.491329 | 0.941176 |
24 | FAD CNX | 0.488506 | 0.8125 |
25 | APR | 0.488372 | 0.851852 |
26 | AR6 | 0.488372 | 0.851852 |
27 | FAD T2C | 0.485876 | 0.819149 |
28 | AGS | 0.484615 | 0.811765 |
29 | M33 | 0.484375 | 0.864198 |
30 | BA3 | 0.484127 | 0.875 |
31 | ATP | 0.48062 | 0.851852 |
32 | HEJ | 0.48062 | 0.851852 |
33 | B4P | 0.480315 | 0.875 |
34 | ADP | 0.480315 | 0.851852 |
35 | AP5 | 0.480315 | 0.875 |
36 | ANP | 0.477273 | 0.831325 |
37 | 5FA | 0.476923 | 0.851852 |
38 | AQP | 0.476923 | 0.851852 |
39 | 48N | 0.469388 | 0.902439 |
40 | OAD | 0.467626 | 0.876543 |
41 | 9X8 | 0.467626 | 0.833333 |
42 | FAD NBA | 0.467033 | 0.793814 |
43 | GTA | 0.465753 | 0.892857 |
44 | AT4 | 0.465116 | 0.821429 |
45 | AN2 | 0.465116 | 0.841463 |
46 | HQG | 0.463235 | 0.841463 |
47 | AD9 | 0.462121 | 0.831325 |
48 | 3OD | 0.460993 | 0.876543 |
49 | RBF | 0.460938 | 0.790123 |
50 | FB0 | 0.460606 | 0.835165 |
51 | 139 | 0.460526 | 0.858824 |
52 | AP0 | 0.46 | 0.835294 |
53 | A22 | 0.459854 | 0.864198 |
54 | ACP | 0.458015 | 0.853659 |
55 | 8QN | 0.456522 | 0.864198 |
56 | PRX | 0.454545 | 0.831325 |
57 | A3R | 0.453237 | 0.86747 |
58 | A1R | 0.453237 | 0.86747 |
59 | G3A | 0.452055 | 0.902439 |
60 | T5A | 0.45098 | 0.872093 |
61 | G5P | 0.44898 | 0.902439 |
62 | ATF | 0.448529 | 0.821429 |
63 | 50T | 0.44697 | 0.819277 |
64 | OZV | 0.446043 | 0.851852 |
65 | 6YZ | 0.445255 | 0.853659 |
66 | ACQ | 0.444444 | 0.853659 |
67 | ADQ | 0.442857 | 0.853659 |
68 | PAJ | 0.442857 | 0.847059 |
69 | KMQ | 0.441379 | 0.843373 |
70 | 8LE | 0.441176 | 0.855422 |
71 | 5AL | 0.441176 | 0.864198 |
72 | ADX | 0.439394 | 0.775281 |
73 | CA0 | 0.439394 | 0.853659 |
74 | 8LQ | 0.438849 | 0.865854 |
75 | QA7 | 0.438849 | 0.855422 |
76 | A4P | 0.437909 | 0.831461 |
77 | 25L | 0.4375 | 0.864198 |
78 | P33 FDA | 0.436464 | 0.817204 |
79 | KG4 | 0.43609 | 0.853659 |
80 | 5SV | 0.435714 | 0.793103 |
81 | 8LH | 0.434783 | 0.843373 |
82 | OMR | 0.434211 | 0.818182 |
83 | TXE | 0.434211 | 0.890244 |
84 | 45A | 0.434109 | 0.829268 |
85 | ABM | 0.434109 | 0.829268 |
86 | AMP | 0.433071 | 0.82716 |
87 | A | 0.433071 | 0.82716 |
88 | 4AD | 0.432624 | 0.855422 |
89 | ADJ | 0.432258 | 0.818182 |
90 | B5M | 0.431507 | 0.878049 |
91 | B5Y | 0.431507 | 0.878049 |
92 | BIS | 0.430556 | 0.802326 |
93 | DJC FAD | 0.43 | 0.827957 |
94 | SRA | 0.429688 | 0.788235 |
95 | AFH | 0.42953 | 0.825581 |
96 | DND | 0.427632 | 0.865854 |
97 | TXD | 0.427632 | 0.890244 |
98 | UP5 | 0.427632 | 0.878049 |
99 | 6V0 | 0.427632 | 0.857143 |
100 | DQV | 0.426667 | 0.8875 |
101 | SRP | 0.42446 | 0.843373 |
102 | PR8 | 0.423611 | 0.837209 |
103 | TAT | 0.423358 | 0.821429 |
104 | T99 | 0.423358 | 0.821429 |
105 | AMO | 0.422535 | 0.865854 |
106 | PTJ | 0.42069 | 0.835294 |
107 | TXA | 0.42069 | 0.865854 |
108 | FYA | 0.42069 | 0.864198 |
109 | CNA | 0.420382 | 0.865854 |
110 | AHX | 0.41958 | 0.835294 |
111 | 00A | 0.41958 | 0.823529 |
112 | AMP MG | 0.418605 | 0.814815 |
113 | MAP | 0.41844 | 0.811765 |
114 | NAI | 0.418301 | 0.845238 |
115 | AU1 | 0.41791 | 0.831325 |
116 | A12 | 0.416667 | 0.843373 |
117 | AP2 | 0.416667 | 0.843373 |
118 | 9ZD | 0.415493 | 0.845238 |
119 | 25A | 0.415493 | 0.851852 |
120 | 9ZA | 0.415493 | 0.845238 |
121 | COD | 0.415094 | 0.842697 |
122 | 4TC | 0.412903 | 0.879518 |
123 | APC | 0.411765 | 0.843373 |
124 | ME8 | 0.410959 | 0.806818 |
125 | 1ZZ | 0.410959 | 0.806818 |
126 | NB8 | 0.410959 | 0.835294 |
127 | ADP BEF | 0.410448 | 0.82716 |
128 | ADP MG | 0.410448 | 0.82716 |
129 | DJ0 FAD | 0.41 | 0.865169 |
130 | 4UW | 0.409091 | 0.825581 |
131 | NAX | 0.409091 | 0.837209 |
132 | F2R | 0.408805 | 0.850575 |
133 | ADV | 0.408759 | 0.843373 |
134 | RBY | 0.408759 | 0.843373 |
135 | VO4 ADP | 0.407143 | 0.809524 |
136 | P1H | 0.405882 | 0.818182 |
137 | BEF ADP | 0.405797 | 0.807229 |
138 | OOB | 0.405594 | 0.864198 |
139 | LAD | 0.40411 | 0.825581 |
140 | UPA | 0.403846 | 0.86747 |
141 | 4UU | 0.401316 | 0.833333 |
142 | GA7 | 0.401316 | 0.865854 |
143 | A3D | 0.401235 | 0.876543 |
144 | 80F | 0.401235 | 0.808989 |
145 | DLL | 0.4 | 0.864198 |
146 | XAH | 0.4 | 0.806818 |
147 | V2G | 0.4 | 0.857143 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ISE | 1.0000 |
2 | TBS | 1.0000 |
3 | PCI | 0.9982 |
4 | HFB | 0.9979 |
5 | INS | 0.9977 |
6 | BBF | 0.9957 |
7 | BCF | 0.9912 |
8 | 25W | 0.9887 |
9 | IBF | 0.9881 |
10 | F3B | 0.9880 |
11 | G6D | 0.9869 |
12 | XXR | 0.9793 |
13 | PFB | 0.9792 |
14 | 3RK | 0.9756 |
15 | F5B | 0.9706 |
16 | UQ | 0.9692 |
17 | PBR | 0.9688 |
18 | EXO | 0.9682 |
19 | GLC | 0.9680 |
20 | BGC | 0.9649 |
21 | LGC | 0.9622 |
22 | KJY | 0.9620 |
23 | G3F | 0.9605 |
24 | 8S0 | 0.9603 |
25 | 5CL | 0.9599 |
26 | GCS | 0.9592 |
27 | XYP | 0.9591 |
28 | I1N | 0.9590 |
29 | LXC | 0.9583 |
30 | GAL | 0.9577 |
31 | GIM | 0.9558 |
32 | RAM | 0.9552 |
33 | MT5 | 0.9550 |
34 | NTZ | 0.9541 |
35 | JUG | 0.9527 |
36 | FUL | 0.9517 |
37 | KBG | 0.9506 |
38 | TEP | 0.9504 |
39 | RPQ | 0.9493 |
40 | G1O | 0.9489 |
41 | 39A | 0.9487 |
42 | AEZ | 0.9480 |
43 | 3MG | 0.9474 |
44 | 3WA | 0.9468 |
45 | HTP | 0.9467 |
46 | 94B | 0.9467 |
47 | GRE | 0.9466 |
48 | 6F0 | 0.9463 |
49 | SHG | 0.9443 |
50 | CFF | 0.9442 |
51 | 2ZV | 0.9437 |
52 | 6M1 | 0.9436 |
53 | JBQ | 0.9434 |
54 | GLT | 0.9429 |
55 | G5V | 0.9409 |
56 | ASO | 0.9400 |
57 | LCN | 0.9399 |
58 | NOY | 0.9390 |
59 | NOJ | 0.9388 |
60 | FUC | 0.9385 |
61 | G2F | 0.9382 |
62 | 12B | 0.9371 |
63 | 948 | 0.9362 |
64 | HHA | 0.9353 |
65 | 32X | 0.9345 |
66 | 06B | 0.9343 |
67 | PHH | 0.9343 |
68 | MFB | 0.9342 |
69 | XYS | 0.9339 |
70 | ARB | 0.9334 |
71 | PYQ | 0.9326 |
72 | DHQ | 0.9322 |
73 | MVL | 0.9320 |
74 | PXL | 0.9316 |
75 | 3DO | 0.9313 |
76 | IFL | 0.9311 |
77 | GTZ | 0.9305 |
78 | K17 | 0.9303 |
79 | 9KT | 0.9302 |
80 | 1U6 | 0.9301 |
81 | GCW | 0.9300 |
82 | GLF | 0.9299 |
83 | BNT | 0.9292 |
84 | 2CQ | 0.9291 |
85 | UEG | 0.9288 |
86 | FCA | 0.9287 |
87 | 150 | 0.9286 |
88 | GOX | 0.9286 |
89 | 0MK | 0.9284 |
90 | 1WG | 0.9283 |
91 | 3HA | 0.9279 |
92 | PA1 | 0.9276 |
93 | PXM | 0.9275 |
94 | ZVO | 0.9275 |
95 | B53 | 0.9272 |
96 | 37T | 0.9271 |
97 | BDP | 0.9265 |
98 | EQT | 0.9260 |
99 | 2H5 | 0.9259 |
100 | CTS | 0.9258 |
101 | JFD | 0.9257 |
102 | FUF | 0.9255 |
103 | BTE | 0.9255 |
104 | 35C | 0.9247 |
105 | X05 | 0.9246 |
106 | ADK | 0.9243 |
107 | JIF | 0.9242 |
108 | RM4 | 0.9232 |
109 | HZQ | 0.9231 |
110 | GCB | 0.9230 |
111 | 3F0 | 0.9230 |
112 | 7MH | 0.9227 |
113 | BSP | 0.9227 |
114 | 3M0 | 0.9222 |
115 | FCB | 0.9222 |
116 | LKA | 0.9221 |
117 | LI6 | 0.9220 |
118 | 680 | 0.9217 |
119 | T6C | 0.9215 |
120 | WOO | 0.9215 |
121 | GCU | 0.9210 |
122 | NQ | 0.9210 |
123 | RNS | 0.9209 |
124 | FE DB1 | 0.9204 |
125 | B57 | 0.9202 |
126 | SOE | 0.9201 |
127 | DBH | 0.9201 |
128 | 5WX | 0.9200 |
129 | 7B3 | 0.9200 |
130 | 3IT | 0.9199 |
131 | 7VJ | 0.9199 |
132 | JBK | 0.9198 |
133 | ALL | 0.9197 |
134 | 3MA | 0.9194 |
135 | NDM | 0.9190 |
136 | EVA | 0.9190 |
137 | YSO | 0.9189 |
138 | HLZ | 0.9187 |
139 | SOR | 0.9186 |
140 | MT0 | 0.9185 |
141 | 495 | 0.9181 |
142 | GIO | 0.9176 |
143 | 64K | 0.9168 |
144 | TC7 | 0.9163 |
145 | VK3 | 0.9160 |
146 | ADZ | 0.9158 |
147 | RXA | 0.9157 |
148 | F4Z | 0.9156 |
149 | 5QX | 0.9152 |
150 | IFM | 0.9150 |
151 | R8V | 0.9149 |
152 | 24W | 0.9148 |
153 | 45C | 0.9147 |
154 | KYD | 0.9147 |
155 | BMA | 0.9146 |
156 | AFR | 0.9143 |
157 | 1XN | 0.9140 |
158 | 5Q0 | 0.9138 |
159 | ES1 | 0.9138 |
160 | FBT | 0.9138 |
161 | HQD | 0.9137 |
162 | MAN | 0.9136 |
163 | 67N | 0.9135 |
164 | 82I | 0.9134 |
165 | M1A | 0.9133 |
166 | 1NP | 0.9133 |
167 | GUN | 0.9133 |
168 | K6X | 0.9130 |
169 | GLA | 0.9130 |
170 | HQY | 0.9130 |
171 | HH8 | 0.9128 |
172 | FH2 | 0.9125 |
173 | 329 | 0.9119 |
174 | GOG | 0.9119 |
175 | 18N | 0.9117 |
176 | ZWZ | 0.9117 |
177 | DBJ | 0.9116 |
178 | MZB | 0.9114 |
179 | FDK | 0.9113 |
180 | TTL | 0.9112 |
181 | ADE | 0.9112 |
182 | AZA | 0.9112 |
183 | XAN | 0.9111 |
184 | DPZ | 0.9111 |
185 | 4YS | 0.9110 |
186 | PYG | 0.9110 |
187 | GIV | 0.9109 |
188 | FDB | 0.9106 |
189 | SAL | 0.9102 |
190 | B60 | 0.9102 |
191 | KJH | 0.9102 |
192 | QX2 | 0.9100 |
193 | JBH | 0.9100 |
194 | 1LQ | 0.9100 |
195 | 12Q | 0.9100 |
196 | JPZ | 0.9100 |
197 | 5IQ | 0.9097 |
198 | 1LM | 0.9095 |
199 | 9DG | 0.9094 |
200 | 5SG | 0.9094 |
201 | Q6T | 0.9094 |
202 | 1SQ | 0.9093 |
203 | O72 | 0.9093 |
204 | 7NI | 0.9091 |
205 | 3FA | 0.9090 |
206 | 4XH | 0.9090 |
207 | SJ5 | 0.9090 |
208 | HPA | 0.9088 |
209 | AZ9 | 0.9087 |
210 | HJP | 0.9086 |
211 | IGA | 0.9082 |
212 | 149 | 0.9082 |
213 | HQT | 0.9080 |
214 | 42C | 0.9076 |
215 | QWW | 0.9076 |
216 | 9MG | 0.9076 |
217 | 7B4 | 0.9074 |
218 | N5J | 0.9074 |
219 | AKH | 0.9073 |
220 | 4AA | 0.9072 |
221 | BE2 | 0.9072 |
222 | AJV | 0.9069 |
223 | YIO | 0.9069 |
224 | SKA | 0.9068 |
225 | 23A | 0.9068 |
226 | 7W1 | 0.9067 |
227 | SWD | 0.9066 |
228 | 5WY | 0.9065 |
229 | 1GN | 0.9062 |
230 | 7VS | 0.9062 |
231 | 2FG | 0.9060 |
232 | GYE | 0.9059 |
233 | 2C9 | 0.9059 |
234 | X09 | 0.9057 |
235 | ZB1 | 0.9057 |
236 | MBD | 0.9056 |
237 | 6MP | 0.9055 |
238 | TBP | 0.9055 |
239 | SWA | 0.9052 |
240 | CN0 | 0.9052 |
241 | MAQ | 0.9050 |
242 | 141 | 0.9049 |
243 | ES4 | 0.9048 |
244 | 0TR | 0.9048 |
245 | MSN | 0.9047 |
246 | K3Q | 0.9046 |
247 | FLM | 0.9044 |
248 | 9HX | 0.9043 |
249 | 2CM | 0.9043 |
250 | AHR | 0.9041 |
251 | DUB | 0.9041 |
252 | A2F | 0.9037 |
253 | JBE | 0.9037 |
254 | 9DA | 0.9035 |
255 | JXN | 0.9032 |
256 | SVN | 0.9032 |
257 | ARA | 0.9028 |
258 | 7HP | 0.9028 |
259 | H33 | 0.9026 |
260 | M0Q | 0.9025 |
261 | MNM | 0.9024 |
262 | FFP | 0.9022 |
263 | BP1 | 0.9020 |
264 | 7WA | 0.9020 |
265 | DX4 | 0.9020 |
266 | 2ZQ | 0.9019 |
267 | 2MY | 0.9018 |
268 | 7CZ | 0.9017 |
269 | KIB | 0.9013 |
270 | 0N7 | 0.9012 |
271 | FOT | 0.9011 |
272 | TTY | 0.9011 |
273 | GMN | 0.9010 |
274 | OXZ | 0.9008 |
275 | 3CE | 0.9008 |
276 | TFU | 0.9002 |
277 | IJZ | 0.9002 |
278 | PM6 | 0.9001 |
279 | 7ZE | 0.9000 |
280 | UNC | 0.9000 |
281 | K8X | 0.8999 |
282 | SYA | 0.8997 |
283 | GCV | 0.8996 |
284 | ISN | 0.8996 |
285 | 10L | 0.8994 |
286 | 3MC | 0.8994 |
287 | ASC | 0.8992 |
288 | 1XM | 0.8991 |
289 | DMJ | 0.8990 |
290 | 290 | 0.8990 |
291 | 6GU | 0.8989 |
292 | PE0 | 0.8989 |
293 | MA3 | 0.8989 |
294 | MBG | 0.8989 |
295 | HNQ | 0.8989 |
296 | INE | 0.8988 |
297 | DFU | 0.8988 |
298 | GXL | 0.8988 |
299 | M0W | 0.8987 |
300 | CFP | 0.8987 |
301 | RIP | 0.8982 |
302 | 5RG | 0.8979 |
303 | 6AP | 0.8979 |
304 | KIA | 0.8977 |
305 | TOF | 0.8976 |
306 | F81 | 0.8974 |
307 | YH7 | 0.8971 |
308 | NDH | 0.8971 |
309 | KFH | 0.8970 |
310 | 1WD | 0.8970 |
311 | KGK | 0.8967 |
312 | 3MH | 0.8967 |
313 | HXX | 0.8966 |
314 | 6MH | 0.8966 |
315 | MFU | 0.8966 |
316 | 0CU | 0.8966 |
317 | 209 | 0.8962 |
318 | M1H | 0.8961 |
319 | L7T | 0.8961 |
320 | 7D2 | 0.8961 |
321 | 7W4 | 0.8960 |
322 | BCP | 0.8960 |
323 | C2U | 0.8960 |
324 | NID | 0.8957 |
325 | ES6 | 0.8956 |
326 | M1Q | 0.8955 |
327 | Q24 | 0.8955 |
328 | 8XQ | 0.8953 |
329 | GT0 | 0.8952 |
330 | X6X | 0.8952 |
331 | JKE | 0.8951 |
332 | FSW | 0.8951 |
333 | BOA | 0.8950 |
334 | Q88 | 0.8950 |
335 | 2D0 | 0.8946 |
336 | 7WV | 0.8944 |
337 | 4SV | 0.8941 |
338 | 0P6 | 0.8941 |
339 | KKN | 0.8940 |
340 | HH5 | 0.8940 |
341 | APZ | 0.8938 |
342 | 3U4 | 0.8938 |
343 | AZG | 0.8938 |
344 | AZ8 | 0.8937 |
345 | MEW | 0.8936 |
346 | 5WV | 0.8936 |
347 | GYP | 0.8933 |
348 | 94N | 0.8932 |
349 | CLZ | 0.8931 |
350 | CTL | 0.8930 |
351 | MO8 | 0.8930 |
352 | 4HC | 0.8926 |
353 | ES0 | 0.8925 |
354 | DFB | 0.8923 |
355 | GTQ | 0.8922 |
356 | BR8 | 0.8921 |
357 | 9PY | 0.8921 |
358 | GXY | 0.8919 |
359 | DMD | 0.8919 |
360 | 9EW | 0.8917 |
361 | NPY | 0.8917 |
362 | L3Q | 0.8917 |
363 | URF | 0.8916 |
364 | A7W | 0.8915 |
365 | M5K | 0.8914 |
366 | 5NU | 0.8913 |
367 | 7HQ | 0.8913 |
368 | 6CS | 0.8912 |
369 | CWM | 0.8912 |
370 | J9W | 0.8911 |
371 | MMA | 0.8910 |
372 | TM4 | 0.8910 |
373 | 3DM | 0.8909 |
374 | AQO | 0.8909 |
375 | ES7 | 0.8905 |
376 | GAF | 0.8904 |
377 | AMG | 0.8904 |
378 | MCT | 0.8902 |
379 | 2EC | 0.8902 |
380 | 3Z7 | 0.8901 |
381 | PRF | 0.8899 |
382 | AJ2 | 0.8899 |
383 | 8CM | 0.8898 |
384 | 5CU | 0.8897 |
385 | 5M0 | 0.8897 |
386 | F05 | 0.8896 |
387 | XBZ | 0.8896 |
388 | HLR | 0.8894 |
389 | MWM | 0.8893 |
390 | M6N | 0.8892 |
391 | GOO | 0.8891 |
392 | DIU | 0.8889 |
393 | 13X | 0.8885 |
394 | 43M | 0.8885 |
395 | QOS | 0.8885 |
396 | QUZ | 0.8885 |
397 | DRL | 0.8884 |
398 | CGB | 0.8883 |
399 | TDR | 0.8883 |
400 | 54G | 0.8882 |
401 | EJZ | 0.8881 |
402 | 2MN | 0.8879 |
403 | 4ZE | 0.8879 |
404 | PQ0 | 0.8878 |
405 | CWS | 0.8876 |
406 | 2AC | 0.8874 |
407 | NTM | 0.8874 |
408 | MIG | 0.8874 |
409 | 0FN | 0.8873 |
410 | 0W8 | 0.8872 |
411 | PYD | 0.8871 |
412 | 2CK | 0.8871 |
413 | 3Z8 | 0.8871 |
414 | WBU | 0.8870 |
415 | I3A | 0.8869 |
416 | ABE | 0.8868 |
417 | DHK | 0.8867 |
418 | AZF | 0.8863 |
419 | DIE | 0.8862 |
420 | EA1 | 0.8860 |
421 | AX2 | 0.8860 |
422 | HMH | 0.8856 |
423 | VNJ | 0.8856 |
424 | 9TZ | 0.8855 |
425 | 1PT | 0.8855 |
426 | 260 | 0.8855 |
427 | E7Z | 0.8851 |
428 | 2YU | 0.8851 |
429 | D3M | 0.8849 |
430 | P3K | 0.8849 |
431 | LT2 | 0.8848 |
432 | G4D | 0.8847 |
433 | 0RW | 0.8846 |
434 | KUF | 0.8845 |
435 | IV2 | 0.8843 |
436 | D07 | 0.8840 |
437 | M1E | 0.8840 |
438 | 3ID | 0.8839 |
439 | 24B | 0.8837 |
440 | KT7 | 0.8837 |
441 | 4AN | 0.8837 |
442 | 2MP | 0.8836 |
443 | 6UA | 0.8836 |
444 | XYD | 0.8835 |
445 | 5MK | 0.8835 |
446 | SEJ | 0.8834 |
447 | 4HO | 0.8834 |
448 | 275 | 0.8832 |
449 | KLW | 0.8830 |
450 | 5ZE | 0.8829 |
451 | SX1 | 0.8828 |
452 | 6M9 | 0.8828 |
453 | TH0 | 0.8828 |
454 | QWN | 0.8827 |
455 | 34A | 0.8827 |
456 | PX7 | 0.8826 |
457 | 03V | 0.8824 |
458 | TM7 | 0.8823 |
459 | GTL | 0.8823 |
460 | PHT | 0.8823 |
461 | MRW | 0.8823 |
462 | 95Z | 0.8822 |
463 | 5MH | 0.8822 |
464 | ICP | 0.8821 |
465 | HT4 | 0.8820 |
466 | MUA | 0.8820 |
467 | YTB | 0.8819 |
468 | BTY | 0.8819 |
469 | 4JO | 0.8819 |
470 | 12M | 0.8817 |
471 | 6KX | 0.8817 |
472 | A1U | 0.8817 |
473 | 5JC | 0.8817 |
474 | ERH | 0.8817 |
475 | 6M4 | 0.8815 |
476 | 1KP | 0.8812 |
477 | 3AY | 0.8812 |
478 | MT8 | 0.8811 |
479 | BEA | 0.8810 |
480 | DIN | 0.8809 |
481 | G3E | 0.8808 |
482 | 3PF | 0.8807 |
483 | BZX | 0.8807 |
484 | KJ5 | 0.8807 |
485 | FYU | 0.8806 |
486 | 1MC | 0.8802 |
487 | URC | 0.8801 |
488 | 44V | 0.8801 |
489 | FA0 | 0.8800 |
490 | MZG | 0.8800 |
491 | 4PW | 0.8798 |
492 | TH7 | 0.8796 |
493 | DOB | 0.8795 |
494 | 1P7 | 0.8794 |
495 | FLV | 0.8790 |
496 | 226 | 0.8790 |
497 | SE2 | 0.8789 |
498 | B62 | 0.8789 |
499 | 4JJ | 0.8788 |
500 | 8H8 | 0.8788 |
501 | QBK | 0.8786 |
502 | MWJ | 0.8785 |
503 | HMU | 0.8785 |
504 | GTR | 0.8784 |
505 | ZZT | 0.8783 |
506 | B0D | 0.8781 |
507 | 4ZC | 0.8781 |
508 | JZ2 | 0.8780 |
509 | FHN | 0.8780 |
510 | 86J | 0.8779 |
511 | XQG | 0.8776 |
512 | 27Y | 0.8776 |
513 | 5UC | 0.8774 |
514 | LSA | 0.8773 |
515 | BHA | 0.8773 |
516 | TLD | 0.8772 |
517 | BR9 | 0.8771 |
518 | 4M0 | 0.8771 |
519 | 4CL | 0.8770 |
520 | 5QY | 0.8770 |
521 | 3ZQ | 0.8770 |
522 | K22 | 0.8769 |
523 | K5W | 0.8769 |
524 | COU | 0.8765 |
525 | 4FS | 0.8764 |
526 | 4Z4 | 0.8763 |
527 | SFU | 0.8763 |
528 | OA3 | 0.8762 |
529 | 5AN | 0.8761 |
530 | 8IG | 0.8760 |
531 | F0J | 0.8759 |
532 | B55 | 0.8759 |
533 | 1DW | 0.8758 |
534 | 5RN | 0.8758 |
535 | V55 | 0.8757 |
536 | X8D | 0.8757 |
537 | 5B1 | 0.8756 |
538 | K32 | 0.8755 |
539 | 1XX | 0.8753 |
540 | 8TX | 0.8753 |
541 | DGJ | 0.8750 |
542 | 0CT | 0.8750 |
543 | QPR | 0.8750 |
544 | GDE | 0.8748 |
545 | IDM | 0.8748 |
546 | XHP | 0.8743 |
547 | S76 | 0.8737 |
548 | 6BL | 0.8736 |
549 | 3FH | 0.8736 |
550 | JB5 | 0.8732 |
551 | FBG | 0.8732 |
552 | XQ0 | 0.8731 |
553 | ADA | 0.8731 |
554 | UAN | 0.8730 |
555 | 4NC | 0.8726 |
556 | H42 | 0.8726 |
557 | WDL | 0.8725 |
558 | 2AQ | 0.8725 |
559 | TCZ | 0.8724 |
560 | RIB | 0.8720 |
561 | JXW | 0.8719 |
562 | VNL | 0.8718 |
563 | SRO | 0.8716 |
564 | 4M4 | 0.8716 |
565 | 4ME | 0.8715 |
566 | NSP | 0.8714 |
567 | RSF | 0.8713 |
568 | 6AI | 0.8713 |
569 | 2ZX | 0.8712 |
570 | JZ3 | 0.8712 |
571 | QXW | 0.8711 |
572 | D48 | 0.8711 |
573 | 75K | 0.8710 |
574 | HX3 | 0.8709 |
575 | IND | 0.8709 |
576 | Q7A | 0.8704 |
577 | IUR | 0.8702 |
578 | 5WU | 0.8702 |
579 | NK | 0.8702 |
580 | 2AK | 0.8702 |
581 | ES5 | 0.8699 |
582 | 3XX | 0.8698 |
583 | DQU | 0.8696 |
584 | OCH | 0.8696 |
585 | RM1 | 0.8695 |
586 | LZ1 | 0.8695 |
587 | Y8I | 0.8694 |
588 | 42A | 0.8692 |
589 | SHA | 0.8692 |
590 | JAE | 0.8692 |
591 | J5I | 0.8691 |
592 | 4MU | 0.8689 |
593 | F1A | 0.8689 |
594 | 6VD | 0.8688 |
595 | 5RO | 0.8688 |
596 | 2GS | 0.8688 |
597 | GVH | 0.8687 |
598 | 4JP | 0.8685 |
599 | 5NE | 0.8683 |
600 | 4XR | 0.8683 |
601 | 44W | 0.8682 |
602 | BZI | 0.8682 |
603 | BZF | 0.8682 |
604 | PAF | 0.8681 |
605 | 3GQ | 0.8681 |
606 | G12 | 0.8680 |
607 | DEN | 0.8680 |
608 | 5H1 | 0.8678 |
609 | 14O | 0.8675 |
610 | GZL | 0.8674 |
611 | ES9 | 0.8674 |
612 | 11S | 0.8672 |
613 | LZM | 0.8671 |
614 | 0R1 | 0.8671 |
615 | JU2 | 0.8671 |
616 | 2HQ | 0.8669 |
617 | MXX | 0.8668 |
618 | DEE | 0.8667 |
619 | JTH | 0.8665 |
620 | 40O | 0.8665 |
621 | QAT | 0.8664 |
622 | 3C2 | 0.8664 |
623 | IDH | 0.8663 |
624 | MPI | 0.8661 |
625 | KPL | 0.8659 |
626 | XAZ | 0.8655 |
627 | 2FQ | 0.8653 |
628 | FPY | 0.8652 |
629 | M2K | 0.8650 |
630 | 5JQ | 0.8650 |
631 | FK1 | 0.8650 |
632 | CAQ | 0.8647 |
633 | SXS | 0.8642 |
634 | BRV | 0.8642 |
635 | MVN | 0.8640 |
636 | E7R | 0.8638 |
637 | JZ9 | 0.8637 |
638 | 3C1 | 0.8637 |
639 | H4N | 0.8634 |
640 | 3SK | 0.8633 |
641 | 2A9 | 0.8631 |
642 | QAS | 0.8630 |
643 | 4XV | 0.8630 |
644 | OTW | 0.8630 |
645 | 0FO | 0.8629 |
646 | FGZ | 0.8627 |
647 | 2A7 | 0.8627 |
648 | QX4 | 0.8626 |
649 | YQA | 0.8625 |
650 | QSH | 0.8623 |
651 | HA7 | 0.8622 |
652 | XXP | 0.8620 |
653 | IBM | 0.8619 |
654 | IPB | 0.8616 |
655 | 5MB | 0.8613 |
656 | AUD | 0.8610 |
657 | ICO | 0.8609 |
658 | I6G | 0.8605 |
659 | 5MI | 0.8604 |
660 | SYV | 0.8602 |
661 | F60 | 0.8601 |
662 | 5JL | 0.8600 |
663 | BHO | 0.8600 |
664 | 2K4 | 0.8589 |
665 | SF9 | 0.8587 |
666 | 270 | 0.8585 |
667 | 7WR | 0.8582 |
668 | 5OB | 0.8580 |
669 | MM2 | 0.8580 |
670 | ABV | 0.8577 |
671 | R8A | 0.8573 |
672 | AX7 | 0.8572 |
673 | 0R0 | 0.8571 |
674 | F12 | 0.8569 |
675 | 286 | 0.8560 |
676 | SKM | 0.8558 |
677 | EYK | 0.8554 |
678 | OXQ | 0.8553 |
679 | MWP | 0.8552 |
680 | 23J | 0.8551 |
681 | XM0 | 0.8540 |
682 | P9P | 0.8538 |
683 | 8WT | 0.8536 |
684 | ZZ3 | 0.8534 |
685 | DHB | 0.8526 |
686 | 4JQ | 0.8526 |
687 | UFO | 0.8520 |
688 | 2LY | 0.8518 |
689 | Z5P | 0.8513 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | FDA T2C | 0.8610 |
This union binding pocket(no: 1) in the query (biounit: 1qrd.bio2) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1qrd.bio2) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1qrd.bio2) has 10 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 1qrd.bio2) has 10 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 1qrd.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 1qrd.bio1) has 6 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 1qrd.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 8) in the query (biounit: 1qrd.bio1) has 6 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 9) in the query (biounit: 1qrd.bio3) has 10 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 10) in the query (biounit: 1qrd.bio3) has 10 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 11) in the query (biounit: 1qrd.bio3) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 12) in the query (biounit: 1qrd.bio3) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |