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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 2YIV | - | NBN | C5 H9 N | CCCC[N+]#[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 2YIV | - | NBN | C5 H9 N | CCCC[N+]#[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | NBN | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | BXO | 1.0000 |
2 | PE9 | 0.9952 |
3 | PUT | 0.9919 |
4 | ETX | 0.9792 |
5 | 5BR | 0.9743 |
6 | 7CL | 0.9737 |
7 | O8Y | 0.9586 |
8 | HP6 | 0.9547 |
9 | BU4 | 0.9524 |
10 | SLP | 0.9512 |
11 | BUB | 0.9497 |
12 | PXO | 0.9489 |
13 | 3CL | 0.9454 |
14 | YIV | 0.9451 |
15 | ITU | 0.9448 |
16 | 9A7 | 0.9444 |
17 | 1KA | 0.9440 |
18 | 3GR | 0.9424 |
19 | SSN | 0.9412 |
20 | XAP | 0.9400 |
21 | LEA | 0.9398 |
22 | BUA | 0.9394 |
23 | AML | 0.9389 |
24 | PG0 | 0.9366 |
25 | CRD | 0.9358 |
26 | FW5 | 0.9356 |
27 | MTG | 0.9350 |
28 | BBU | 0.9350 |
29 | 0CL | 0.9350 |
30 | AOA | 0.9346 |
31 | MSF | 0.9304 |
32 | CYS | 0.9303 |
33 | ABU | 0.9289 |
34 | 4HA | 0.9283 |
35 | SIN | 0.9282 |
36 | 13D | 0.9282 |
37 | 1SP | 0.9282 |
38 | GOL | 0.9280 |
39 | OCT | 0.9275 |
40 | C2N | 0.9240 |
41 | 266 | 0.9226 |
42 | MLI | 0.9205 |
43 | 2KT | 0.9198 |
44 | FUM | 0.9197 |
45 | ISU | 0.9189 |
46 | SAR | 0.9184 |
47 | SGL | 0.9183 |
48 | 9A4 | 0.9149 |
49 | MTD | 0.9149 |
50 | 4SD | 0.9146 |
51 | MLA | 0.9134 |
52 | DSS | 0.9127 |
53 | A3B | 0.9116 |
54 | HSE | 0.9116 |
55 | HE2 | 0.9110 |
56 | GXV | 0.9110 |
57 | MAE | 0.9109 |
58 | EGD | 0.9108 |
59 | AAE | 0.9106 |
60 | 3PY | 0.9106 |
61 | BMD | 0.9102 |
62 | ABA | 0.9095 |
63 | HX2 | 0.9092 |
64 | BAL | 0.9078 |
65 | KG7 | 0.9071 |
66 | LER | 0.9069 |
67 | VKC | 0.9047 |
68 | JZ5 | 0.9047 |
69 | IVA | 0.9042 |
70 | A8C | 0.9027 |
71 | 9YL | 0.9026 |
72 | 2HA | 0.9016 |
73 | MZW | 0.9015 |
74 | MRY | 0.9014 |
75 | HSM | 0.9012 |
76 | NVA | 0.9002 |
77 | 3OH | 0.9001 |
78 | MLM | 0.8998 |
79 | DAV | 0.8997 |
80 | 3SS | 0.8997 |
81 | 3BB | 0.8985 |
82 | MEU | 0.8978 |
83 | OXL | 0.8974 |
84 | HCS | 0.8973 |
85 | HDA | 0.8963 |
86 | DTL | 0.8945 |
87 | P2D | 0.8944 |
88 | 9X7 | 0.8909 |
89 | C5J | 0.8905 |
90 | CEJ | 0.8900 |
91 | OHG | 0.8890 |
92 | IHG | 0.8870 |
93 | NMG | 0.8850 |
94 | BP9 | 0.8829 |
95 | BUQ | 0.8827 |
96 | DMG | 0.8826 |
97 | PG3 | 0.8823 |
98 | 6NA | 0.8803 |
99 | DTU | 0.8796 |
100 | 4MV | 0.8781 |
101 | 23W | 0.8773 |
102 | SMB | 0.8772 |
103 | D2P | 0.8763 |
104 | MMU | 0.8752 |
105 | SHF | 0.8745 |
106 | ORN | 0.8724 |
107 | OKG | 0.8711 |
108 | HTX | 0.8704 |
109 | DCY | 0.8655 |
110 | GUA | 0.8625 |
111 | OXD | 0.8591 |
112 | 69O | 0.8590 |
113 | BHL | 0.8588 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | O8Y | 0.9893 |
2 | HE2 | 0.9752 |
3 | BXO | 0.9689 |
4 | PUT | 0.9687 |
5 | 1KA | 0.9678 |
6 | HP6 | 0.9668 |
7 | PE9 | 0.9659 |
8 | AML | 0.9658 |
9 | 266 | 0.9639 |
10 | 16D | 0.9637 |
11 | 4HA | 0.9622 |
12 | PG0 | 0.9583 |
13 | PG3 | 0.9543 |
14 | ETX | 0.9530 |
15 | BUB | 0.9520 |
16 | 1SP | 0.9488 |
17 | ABU | 0.9486 |
18 | LEA | 0.9484 |
19 | OCT | 0.9469 |
20 | SSN | 0.9460 |
21 | NBN | 0.9451 |
22 | 7CL | 0.9449 |
23 | HE4 | 0.9427 |
24 | SIN | 0.9408 |
25 | DAV | 0.9396 |
26 | SHO | 0.9392 |
27 | 6NA | 0.9387 |
28 | BHL | 0.9369 |
29 | BHL BHL | 0.9369 |
30 | VKC | 0.9349 |
31 | HTX | 0.9343 |
32 | FW5 | 0.9338 |
33 | FUM | 0.9327 |
34 | 5BR | 0.9320 |
35 | SGL | 0.9312 |
36 | HCS | 0.9306 |
37 | ORN | 0.9301 |
38 | A8C | 0.9294 |
39 | HSE | 0.9286 |
40 | 4SD | 0.9262 |
41 | 3SS | 0.9256 |
42 | LER | 0.9236 |
43 | GLU | 0.9232 |
44 | XAP | 0.9226 |
45 | AG2 | 0.9221 |
46 | DTL | 0.9196 |
47 | GUA | 0.9173 |
48 | MRY | 0.9136 |
49 | NLE | 0.9133 |
50 | 4MV | 0.9133 |
51 | URP | 0.9127 |
52 | AE3 | 0.9127 |
53 | OKG | 0.9122 |
54 | IXW | 0.9116 |
55 | MET | 0.9097 |
56 | HSM | 0.9093 |
57 | 0VT | 0.9069 |
58 | 5XA | 0.9067 |
59 | 98J | 0.9067 |
60 | SHF | 0.9062 |
61 | HX2 | 0.9044 |
62 | N6C | 0.9033 |
63 | H95 | 0.9025 |
64 | HPN | 0.9016 |
65 | XRG | 0.9012 |
66 | GLY GLY | 0.9010 |
67 | OEG | 0.9009 |
68 | ACA | 0.8992 |
69 | KQY | 0.8987 |
70 | MHN | 0.8973 |
71 | OPE | 0.8963 |
72 | GLN | 0.8960 |
73 | 3CL | 0.8941 |
74 | 3OL | 0.8921 |
75 | BHH | 0.8908 |
76 | DAB | 0.8906 |
77 | 9X6 | 0.8904 |
78 | LYS | 0.8893 |
79 | OC9 | 0.8889 |
80 | NSD | 0.8889 |
81 | 49F | 0.8870 |
82 | SHV | 0.8862 |
83 | URO | 0.8856 |
84 | 2CO | 0.8850 |
85 | GLY ALA | 0.8844 |
86 | DPF | 0.8836 |
87 | 1SH | 0.8833 |
88 | 6JN | 0.8768 |
89 | 3OM | 0.8767 |
90 | DTU | 0.8728 |
91 | OYA | 0.8725 |
92 | KMH | 0.8723 |
93 | MUC | 0.8714 |
94 | S8V | 0.8683 |
95 | DTT | 0.8667 |
96 | DPJ | 0.8662 |
97 | URQ | 0.8647 |
98 | TIU | 0.8629 |
99 | 7BC | 0.8615 |
100 | MEV | 0.8613 |
101 | 3HG | 0.8572 |
102 | NF3 | 0.8551 |
This union binding pocket(no: 1) in the query (biounit: 2yiv.bio1) has 10 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2yiv.bio1) has 10 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2yiv.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2yiv.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |