- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | IPA | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | BEF | 1.0000 |
2 | 2PO | 1.0000 |
3 | 78T | 1.0000 |
4 | AF3 | 1.0000 |
5 | ACM | 0.9910 |
6 | SEY | 0.9900 |
7 | KCS | 0.9870 |
8 | ACT | 0.9860 |
9 | VN4 | 0.9819 |
10 | FAH | 0.9618 |
11 | MCH | 0.9612 |
12 | GOA | 0.9545 |
13 | 2A3 | 0.9532 |
14 | PPI | 0.9496 |
15 | GLV | 0.9363 |
16 | HAE | 0.9356 |
17 | GLY | 0.9348 |
18 | NIE | 0.9340 |
19 | F50 | 0.9339 |
20 | ALA | 0.9329 |
21 | TBU | 0.9294 |
22 | 03S | 0.9294 |
23 | TMO | 0.9285 |
24 | F3V | 0.9278 |
25 | R3W | 0.9273 |
26 | TSZ | 0.9272 |
27 | 2A1 | 0.9258 |
28 | HVB | 0.9255 |
29 | 2HP | 0.9224 |
30 | GB | 0.9196 |
31 | AKR | 0.9187 |
32 | 61G | 0.9180 |
33 | FPO | 0.9176 |
34 | J3K | 0.9171 |
35 | MGX | 0.9170 |
36 | AGU | 0.9140 |
37 | CP2 | 0.9127 |
38 | PO4 | 0.9111 |
39 | BF4 | 0.9110 |
40 | NHY | 0.9100 |
41 | BRJ | 0.9094 |
42 | NMU | 0.9080 |
43 | 2PA | 0.9077 |
44 | ATO | 0.9070 |
45 | BRP | 0.9049 |
46 | 1BP | 0.9045 |
47 | EDO | 0.9027 |
48 | BXA | 0.9021 |
49 | ART | 0.9021 |
50 | FUS | 0.9000 |
51 | PEJ | 0.8974 |
52 | WO6 | 0.8968 |
53 | TCV | 0.8930 |
54 | IMD | 0.8930 |
55 | HUH | 0.8930 |
56 | ALF | 0.8921 |
57 | PZO | 0.8920 |
58 | NOE | 0.8914 |
59 | SO2 | 0.8910 |
60 | OSM | 0.8894 |
61 | GXV | 0.8860 |
62 | TRI | 0.8860 |
63 | 9XN | 0.8836 |
64 | HP4 | 0.8830 |
65 | MSM | 0.8790 |
66 | GOL | 0.8730 |
67 | 3GR | 0.8654 |
68 | AXO | 0.8620 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | DHT | 0.9621 |
2 | PDN | 0.9596 |
3 | HCY | 0.9594 |
4 | AOM | 0.9540 |
5 | 5SD | 0.9519 |
6 | AND | 0.9513 |
7 | AOX | 0.9499 |
8 | AS4 | 0.9488 |
9 | ANB | 0.9467 |
10 | TUA | 0.9445 |
11 | ZK5 | 0.9409 |
12 | AOI | 0.9399 |
13 | BDT | 0.9382 |
14 | 6VW | 0.9353 |
15 | ANO | 0.9331 |
16 | TUV | 0.9321 |
17 | DEX | 0.9283 |
18 | R18 | 0.9248 |
19 | ESR | 0.9225 |
20 | NQ8 | 0.9195 |
21 | AON | 0.9178 |
22 | 17M | 0.9168 |
23 | EST | 0.9155 |
24 | NDR | 0.9144 |
25 | 30Q | 0.9057 |
26 | CUE | 0.9047 |
27 | EQU | 0.9045 |
28 | AO | 0.9032 |
29 | 801 | 0.8989 |
30 | 120 | 0.8988 |
31 | CR4 | 0.8983 |
32 | MBT | 0.8980 |
33 | BMZ | 0.8962 |
34 | J3Z | 0.8941 |
35 | SAU | 0.8928 |
36 | 124 | 0.8923 |
37 | ESZ | 0.8905 |
38 | NOG | 0.8868 |
39 | 17H | 0.8867 |
40 | FIT | 0.8866 |
41 | GEN | 0.8859 |
42 | 802 | 0.8841 |
43 | ESL | 0.8838 |
44 | 1N7 | 0.8830 |
45 | END | 0.8825 |
46 | 1DR | 0.8812 |
47 | EES | 0.8794 |
48 | ECS | 0.8782 |
49 | 789 | 0.8780 |
50 | 18E | 0.8776 |
51 | 272 | 0.8771 |
52 | BBP | 0.8764 |
53 | 397 | 0.8751 |
54 | 797 | 0.8749 |
55 | A05 | 0.8745 |
56 | SDN | 0.8741 |
57 | BER | 0.8741 |
58 | AQN | 0.8736 |
59 | 609 | 0.8707 |
60 | 122 | 0.8704 |
61 | A63 | 0.8683 |
62 | BRZ | 0.8681 |
63 | 3WF | 0.8681 |
64 | 6ZE | 0.8668 |
65 | 1UR | 0.8666 |
66 | 5OR | 0.8663 |
67 | 517 | 0.8658 |
68 | 97K | 0.8654 |
69 | 27F | 0.8653 |
70 | 79X | 0.8644 |
71 | TUS | 0.8640 |
72 | Q0K | 0.8638 |
73 | KMP | 0.8636 |
74 | 907 | 0.8631 |
75 | 1UT | 0.8631 |
76 | 08C | 0.8630 |
77 | 334 | 0.8628 |
78 | 20D | 0.8627 |
79 | 1V0 | 0.8625 |
80 | A64 | 0.8625 |
81 | SLX | 0.8625 |
82 | 1UZ | 0.8621 |
83 | ADL | 0.8615 |
84 | BRY | 0.8613 |
85 | 47X | 0.8607 |
86 | ESM | 0.8607 |
87 | 29F | 0.8601 |
88 | IXM | 0.8598 |
89 | WG8 | 0.8591 |
90 | DX7 | 0.8576 |
91 | SNL | 0.8569 |
92 | 6BK | 0.8561 |
93 | 7EL | 0.8561 |
94 | CA4 | 0.8560 |
95 | 123 | 0.8552 |
96 | 2V4 | 0.8545 |
97 | 7G0 | 0.8539 |
98 | RHN | 0.8539 |
99 | 6WL | 0.8538 |
100 | 1V1 | 0.8527 |
101 | SZ5 | 0.8526 |
102 | OAL | 0.8518 |
103 | 7G2 | 0.8516 |
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 |