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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 6 families. | |||||
1 | 1H60 | Kd = 20 uM | STR | C21 H30 O2 | CC(=O)[C@H.... |
2 | 3P7Y | - | P7Y | C8 H7 N O3 | c1ccc(c(c1.... |
3 | 1H50 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
4 | 3P67 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
5 | 3KFT | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
6 | 1VYP | Kd = 0.07 uM | TNF | C6 H3 N3 O7 | c1c(cc(c(c.... |
7 | 3P74 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
8 | 1GVQ | - | A2Q | C6 H8 O | C1CC=CC(=O.... |
9 | 5LGX | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
10 | 2ABA | Kd = 0.7 uM | STR | C21 H30 O2 | CC(=O)[C@H.... |
11 | 6GIA | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
12 | 6GI7 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
13 | 1VYS | Kd = 0.24 uM | TNF | C6 H3 N3 O7 | c1c(cc(c(c.... |
14 | 1GVO | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
15 | 3P81 | - | P81 | C8 H7 N O3 | c1cc(ccc1/.... |
16 | 5LGZ | - | FNR | C17 H23 N4 O9 P | Cc1cc2c(cc.... |
17 | 3P62 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
18 | 6GI9 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
19 | 3P82 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
20 | 1GVR | - | TNL | C7 H5 N3 O6 | Cc1c(cc(cc.... |
21 | 1H63 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
22 | 1H62 | Kd = 17 uM | ANB | C19 H24 O2 | C[C@]12CC[.... |
23 | 1GVS | - | TNF | C6 H3 N3 O7 | c1c(cc(c(c.... |
24 | 1H61 | Kd = 13 uM | PDN | C21 H26 O5 | C[C@]12CC(.... |
25 | 3P80 | - | P80 | C8 H7 N O3 | c1cc(cc(c1.... |
26 | 2ABB | - | IPA | C3 H8 O | CC(C)O |
27 | 6GI8 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
28 | 1VYR | Kd = 5.4 uM | TNF | C6 H3 N3 O7 | c1c(cc(c(c.... |
29 | 1H51 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1H60 | Kd = 20 uM | STR | C21 H30 O2 | CC(=O)[C@H.... |
2 | 3P7Y | - | P7Y | C8 H7 N O3 | c1ccc(c(c1.... |
3 | 1H50 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
4 | 3P67 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
5 | 3KFT | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
6 | 1VYP | Kd = 0.07 uM | TNF | C6 H3 N3 O7 | c1c(cc(c(c.... |
7 | 3P74 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
8 | 1GVQ | - | A2Q | C6 H8 O | C1CC=CC(=O.... |
9 | 5LGX | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
10 | 2ABA | Kd = 0.7 uM | STR | C21 H30 O2 | CC(=O)[C@H.... |
11 | 6GIA | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
12 | 6GI7 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
13 | 1VYS | Kd = 0.24 uM | TNF | C6 H3 N3 O7 | c1c(cc(c(c.... |
14 | 1GVO | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
15 | 3P81 | - | P81 | C8 H7 N O3 | c1cc(ccc1/.... |
16 | 5LGZ | - | FNR | C17 H23 N4 O9 P | Cc1cc2c(cc.... |
17 | 3P62 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
18 | 6GI9 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
19 | 3P82 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
20 | 1GVR | - | TNL | C7 H5 N3 O6 | Cc1c(cc(cc.... |
21 | 1H63 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
22 | 1H62 | Kd = 17 uM | ANB | C19 H24 O2 | C[C@]12CC[.... |
23 | 1GVS | - | TNF | C6 H3 N3 O7 | c1c(cc(c(c.... |
24 | 1H61 | Kd = 13 uM | PDN | C21 H26 O5 | C[C@]12CC(.... |
25 | 3P80 | - | P80 | C8 H7 N O3 | c1cc(cc(c1.... |
26 | 2ABB | - | IPA | C3 H8 O | CC(C)O |
27 | 6GI8 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
28 | 1VYR | Kd = 5.4 uM | TNF | C6 H3 N3 O7 | c1c(cc(c(c.... |
29 | 1H51 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
30 | 2GQ9 | - | HBA | C7 H6 O2 | c1cc(ccc1C.... |
31 | 2GQ8 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
32 | 2GOU | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
33 | 2GQA | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
34 | 2HS8 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
35 | 2HS6 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
36 | 3HGO | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
37 | 2HSA | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
38 | 3HGS | - | PHB | C7 H6 O3 | c1cc(ccc1C.... |
39 | 1OYB | - | HBA | C7 H6 O2 | c1cc(ccc1C.... |
40 | 1OYC | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
41 | 1BWK | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
42 | 1OYA | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
43 | 6AGZ | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
44 | 4M5P | - | MLA | C3 H4 O4 | C(C(=O)O)C.... |
45 | 4TMB | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
46 | 4TMC | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
47 | 6S32 | - | BAM | C7 H9 N2 | c1ccc(cc1).... |
48 | 1ICS | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
49 | 3HGR | - | PHB | C7 H6 O3 | c1cc(ccc1C.... |
50 | 1ICP | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
51 | 1ICQ | - | OPD | C18 H28 O3 | CCC=CC[C@@.... |
52 | 3ATY | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
53 | 3ATZ | - | HBA | C7 H6 O2 | c1cc(ccc1C.... |
54 | 6UFF | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
55 | 6MYW | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
56 | 6O08 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
57 | 1Q45 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
58 | 2Q3O | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
59 | 2R14 | Kd = 0.63 mM | TXD | C21 H31 N7 O14 P2 | c1nc(c2c(n.... |
60 | 3GX9 | - | TXD | C21 H31 N7 O14 P2 | c1nc(c2c(n.... |
61 | 1GWJ | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
62 | 1VJI | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
63 | 2Q3R | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
64 | 4JIQ | Kd = 0.73 mM | 1L5 | C9 H9 N O2 | C/C(=CN(=O.... |
65 | 4JIP | - | HBA | C7 H6 O2 | c1cc(ccc1C.... |
66 | 4JIC | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
67 | 5N6G | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
68 | 4QNW | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
69 | 6S31 | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
70 | 6S23 | - | KSW | C6 H6 O | CC1=CC=CC1.... |
71 | 6S0G | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
72 | 4RNX | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
73 | 4RNV | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
74 | 4RNW | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
75 | 4A3U | - | FMN | C17 H21 N4 O9 P | Cc1cc2c(cc.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | FMN | 1 | 1 |
2 | RBF | 0.75641 | 0.876712 |
3 | 9O9 | 0.574468 | 0.934211 |
4 | RS3 | 0.571429 | 0.831169 |
5 | FAD | 0.543307 | 0.876543 |
6 | FAS | 0.543307 | 0.876543 |
7 | FAE | 0.539062 | 0.865854 |
8 | UBG | 0.534351 | 0.888889 |
9 | 5DD | 0.475248 | 0.972603 |
10 | LFN | 0.475 | 0.643836 |
11 | C3F | 0.473684 | 0.74359 |
12 | CF4 | 0.463918 | 0.734177 |
13 | FAY | 0.446043 | 0.864198 |
14 | FNR | 0.444444 | 0.909091 |
15 | RFL | 0.442857 | 0.845238 |
16 | 4LS | 0.411215 | 0.875 |
17 | 1VY | 0.406593 | 0.769231 |
18 | DLZ | 0.404494 | 0.782051 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | SYR | 0.9409 |
2 | JR2 | 0.9344 |
3 | 8WZ | 0.9326 |
4 | 7WR | 0.9232 |
5 | HLD | 0.9231 |
6 | EDM | 0.9222 |
7 | 582 | 0.9221 |
8 | 0GZ | 0.9216 |
9 | 1X8 | 0.9216 |
10 | 4KL | 0.9213 |
11 | FBG | 0.9207 |
12 | 96U | 0.9124 |
13 | TQU | 0.9092 |
14 | HNQ | 0.9056 |
15 | VD8 | 0.9055 |
16 | 1X7 | 0.9051 |
17 | 8XQ | 0.9037 |
18 | UAN | 0.9031 |
19 | IBM | 0.9025 |
20 | JKZ | 0.9015 |
21 | 6BL | 0.9008 |
22 | I6G | 0.9001 |
23 | UXH | 0.8996 |
24 | 3E2 | 0.8991 |
25 | X8D | 0.8972 |
26 | 9AP | 0.8972 |
27 | NTZ | 0.8957 |
28 | 3MG | 0.8953 |
29 | 9UG | 0.8952 |
30 | 96R | 0.8945 |
31 | SYA | 0.8935 |
32 | 2JK | 0.8934 |
33 | QPR | 0.8921 |
34 | I7A | 0.8920 |
35 | 692 | 0.8916 |
36 | EY7 | 0.8915 |
37 | KYA | 0.8915 |
38 | 5VJ | 0.8912 |
39 | H5B | 0.8909 |
40 | FGZ | 0.8908 |
41 | MXX | 0.8905 |
42 | LDR | 0.8902 |
43 | 64C | 0.8893 |
44 | AIN | 0.8893 |
45 | OTD | 0.8891 |
46 | D07 | 0.8890 |
47 | KIB | 0.8884 |
48 | 0GY | 0.8876 |
49 | XQK | 0.8875 |
50 | 7M6 | 0.8872 |
51 | M5N | 0.8871 |
52 | 7I2 | 0.8871 |
53 | 5PX | 0.8870 |
54 | RB2 | 0.8868 |
55 | LF5 | 0.8867 |
56 | 2J9 | 0.8864 |
57 | 25O | 0.8863 |
58 | DNA | 0.8862 |
59 | 5WY | 0.8858 |
60 | DK1 | 0.8855 |
61 | A0O | 0.8847 |
62 | FA6 | 0.8840 |
63 | MT8 | 0.8839 |
64 | CKU | 0.8835 |
65 | B56 | 0.8827 |
66 | 2D3 | 0.8825 |
67 | CKA | 0.8825 |
68 | C2U | 0.8824 |
69 | QZ8 | 0.8820 |
70 | G1P | 0.8818 |
71 | FLV | 0.8810 |
72 | 3TJ | 0.8806 |
73 | 465 | 0.8801 |
74 | 4AN | 0.8794 |
75 | 226 | 0.8793 |
76 | KLK | 0.8791 |
77 | QSH | 0.8790 |
78 | A1Y | 0.8789 |
79 | F95 | 0.8780 |
80 | J01 | 0.8777 |
81 | MBG | 0.8775 |
82 | 8VE | 0.8754 |
83 | GI3 | 0.8744 |
84 | VYM | 0.8740 |
85 | KED | 0.8739 |
86 | H33 | 0.8738 |
87 | 680 | 0.8738 |
88 | H05 | 0.8738 |
89 | 2ZQ | 0.8736 |
90 | GDE | 0.8732 |
91 | 4ME | 0.8732 |
92 | 8MO | 0.8728 |
93 | 209 | 0.8724 |
94 | OAI | 0.8724 |
95 | K3Q | 0.8723 |
96 | 7ZE | 0.8719 |
97 | 67X | 0.8718 |
98 | NBG | 0.8718 |
99 | DIU | 0.8713 |
100 | GTZ | 0.8712 |
101 | XM5 | 0.8711 |
102 | APZ | 0.8710 |
103 | 3J8 | 0.8710 |
104 | FOT | 0.8708 |
105 | 9KT | 0.8706 |
106 | LI6 | 0.8702 |
107 | FID | 0.8701 |
108 | 8GK | 0.8700 |
109 | R8Y | 0.8698 |
110 | X0W | 0.8690 |
111 | W8G | 0.8687 |
112 | GOH | 0.8686 |
113 | 12B | 0.8685 |
114 | 5OF | 0.8684 |
115 | GO1 | 0.8680 |
116 | HJP | 0.8679 |
117 | IJZ | 0.8678 |
118 | QMS | 0.8677 |
119 | DPZ | 0.8674 |
120 | S3P | 0.8673 |
121 | PXL | 0.8672 |
122 | CKX | 0.8671 |
123 | F12 | 0.8670 |
124 | 6XI | 0.8667 |
125 | I3C | 0.8667 |
126 | IPT | 0.8662 |
127 | AM1 | 0.8651 |
128 | 4MU | 0.8650 |
129 | UFO | 0.8650 |
130 | CRB | 0.8648 |
131 | KDO | 0.8646 |
132 | BRV | 0.8644 |
133 | 61O | 0.8642 |
134 | UFV | 0.8639 |
135 | AO6 | 0.8637 |
136 | FIS | 0.8636 |
137 | JAA | 0.8630 |
138 | Z5P | 0.8624 |
139 | DHK | 0.8620 |
140 | ZO9 | 0.8618 |
141 | JUO | 0.8614 |
142 | 4VS | 0.8612 |
143 | TWO | 0.8610 |
144 | K25 | 0.8605 |
145 | NID | 0.8604 |
146 | R6T | 0.8603 |
147 | UNC | 0.8601 |
148 | RXA | 0.8595 |
149 | NDM | 0.8595 |
150 | MHK | 0.8595 |
151 | 4XS | 0.8593 |
152 | M4B | 0.8592 |
153 | P9I | 0.8589 |
154 | GV9 | 0.8586 |
155 | BPU | 0.8580 |
156 | VK3 | 0.8574 |
157 | 2AK | 0.8570 |
158 | 49N | 0.8569 |
159 | QQQ | 0.8567 |
160 | 4NO | 0.8560 |
161 | NLA | 0.8558 |
162 | GTR | 0.8557 |
163 | BDP | 0.8553 |
164 | LT8 | 0.8552 |
165 | NQ | 0.8549 |
166 | CIT | 0.8547 |
167 | 9MG | 0.8542 |
168 | GTL | 0.8541 |
169 | QVK | 0.8538 |
170 | B60 | 0.8536 |
171 | 1FF | 0.8525 |
172 | LZ2 | 0.8525 |
173 | 3C2 | 0.8520 |
This union binding pocket(no: 1) in the query (biounit: 1vyp.bio1) has 27 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3B0P | FMN | 4.28571 |
2 | 3B0P | FMN | 4.28571 |
This union binding pocket(no: 2) in the query (biounit: 1vyp.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3B0P | FMN | 4.28571 |
2 | 3B0P | FMN | 4.28571 |