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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 17 families. | |||||
1 | 1DY4 | Ki = 44 uM | SNP | C16 H21 N O2 | CC(C)NC[C@.... |
2 | 5CEL | - | BGC BGC BGC BGC | n/a | n/a |
3 | 4D5J | - | XYP XYP XYP | n/a | n/a |
4 | 4D5Q | - | XYP XYP | n/a | n/a |
5 | 4D5V | - | XYP XYP XYP XYP | n/a | n/a |
6 | 4D5I | - | XYP XYP XYP | n/a | n/a |
7 | 4D5O | - | XYP XYP XYP XYP | n/a | n/a |
8 | 4C4D | - | BGC BGC | n/a | n/a |
9 | 3CEL | - | BGC BGC | n/a | n/a |
10 | 6GRN | - | F9B | C16 H21 N O4 | c1ccc2c(c1.... |
11 | 4D5P | - | XYP XYP XYP XYP | n/a | n/a |
12 | 6CEL | - | BGC BGC BGC BGC BGC | n/a | n/a |
13 | 4C4C | - | BGC BGC BGC BGC BGC BGC BGC BGC BGC | n/a | n/a |
14 | 7CEL | - | BGC BGC BGC BGC BGC BGC | n/a | n/a |
15 | 4ZZU | - | SGC BGC | n/a | n/a |
16 | 4ZZT | - | SGC SGC BGC | n/a | n/a |
17 | 4ZZW | Ki = 50 uM | BGC BGC | n/a | n/a |
18 | 4V20 | - | SHG BGC | n/a | n/a |
19 | 1Z3V | Kd = 77 uM | BGC GAL | n/a | n/a |
20 | 1H46 | Ki = 270 uM | RNP | C16 H19 N O2 | CC(C)N=C[C.... |
21 | 1Z3T | Kd = 115 uM | BGC BGC | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 11 families. | |||||
1 | 1DY4 | Ki = 44 uM | SNP | C16 H21 N O2 | CC(C)NC[C@.... |
2 | 5CEL | - | BGC BGC BGC BGC | n/a | n/a |
3 | 4D5J | - | XYP XYP XYP | n/a | n/a |
4 | 4D5Q | - | XYP XYP | n/a | n/a |
5 | 4D5V | - | XYP XYP XYP XYP | n/a | n/a |
6 | 4D5I | - | XYP XYP XYP | n/a | n/a |
7 | 4D5O | - | XYP XYP XYP XYP | n/a | n/a |
8 | 4C4D | - | BGC BGC | n/a | n/a |
9 | 3CEL | - | BGC BGC | n/a | n/a |
10 | 6GRN | - | F9B | C16 H21 N O4 | c1ccc2c(c1.... |
11 | 4D5P | - | XYP XYP XYP XYP | n/a | n/a |
12 | 6CEL | - | BGC BGC BGC BGC BGC | n/a | n/a |
13 | 4C4C | - | BGC BGC BGC BGC BGC BGC BGC BGC BGC | n/a | n/a |
14 | 7CEL | - | BGC BGC BGC BGC BGC BGC | n/a | n/a |
15 | 4ZZU | - | SGC BGC | n/a | n/a |
16 | 4ZZT | - | SGC SGC BGC | n/a | n/a |
17 | 4ZZW | Ki = 50 uM | BGC BGC | n/a | n/a |
18 | 4V20 | - | SHG BGC | n/a | n/a |
19 | 1Z3W | - | IDC | C14 H22 N2 O9 | c1cn2c(n1).... |
20 | 1Z3V | Kd = 77 uM | BGC GAL | n/a | n/a |
21 | 1H46 | Ki = 270 uM | RNP | C16 H19 N O2 | CC(C)N=C[C.... |
22 | 1Z3T | Kd = 115 uM | BGC BGC | n/a | n/a |
23 | 4IPM | - | SGC BGC | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|
No: | Ligand | Similarity coefficient |
---|---|---|
1 | SHG BGC | 1.0000 |
2 | BGC BGC | 0.9982 |
3 | GLC GLC | 0.9950 |
4 | GLC BGC | 0.9861 |
5 | ABL | 0.9792 |
6 | GCS GCS | 0.9702 |
7 | BGC Z9D | 0.9689 |
8 | BGC GAL | 0.9677 |
9 | BMA BGC | 0.9676 |
10 | NOY BGC | 0.9671 |
11 | SGC BGC | 0.9646 |
12 | BGC OXZ | 0.9577 |
13 | MGL SGC | 0.9574 |
14 | 9MR | 0.9555 |
15 | IFM BGC | 0.9537 |
16 | GLC GAL | 0.9495 |
17 | MGL GAL | 0.9494 |
18 | PA1 GCS | 0.9481 |
19 | BMA BMA | 0.9416 |
20 | BMA GAL | 0.9411 |
21 | IDC | 0.9290 |
22 | IFM BMA | 0.9223 |
23 | ZT2 | 0.9138 |
24 | ISX | 0.9135 |
25 | GAL NGT | 0.9072 |
26 | NGT GAL | 0.9072 |
27 | MAN BMA | 0.9068 |
28 | SA0 | 0.9053 |
29 | GCU BGC | 0.9024 |
30 | GAL NOK | 0.9010 |
31 | NOK GAL | 0.9010 |
32 | BEM BEM | 0.9001 |
33 | FRU GAL | 0.9001 |
34 | BNY | 0.8995 |
35 | XYP XYP | 0.8990 |
36 | BEM LGU | 0.8976 |
37 | 6EN | 0.8976 |
38 | MVL BMA | 0.8961 |
39 | BMA MVL | 0.8954 |
40 | MYG | 0.8950 |
41 | BMA IFM | 0.8914 |
42 | GLO BGC | 0.8906 |
43 | NAG BDP | 0.8881 |
44 | FHI | 0.8878 |
45 | MAV BEM | 0.8847 |
46 | NAG GAL | 0.8846 |
47 | FUC GAL | 0.8833 |
48 | NAG GCD | 0.8825 |
49 | GAL GC2 | 0.8812 |
50 | NFG | 0.8805 |
51 | BGC XGP | 0.8797 |
52 | LGU MAW | 0.8790 |
53 | IXM | 0.8776 |
54 | Z15 | 0.8769 |
55 | 683 | 0.8763 |
56 | XYS XYS | 0.8747 |
57 | NAG GC4 | 0.8739 |
58 | GS1 GS1 | 0.8737 |
59 | CC6 | 0.8733 |
60 | NAG GAD | 0.8719 |
61 | K3Q 7CV | 0.8707 |
62 | Z57 | 0.8707 |
63 | NDG GAL | 0.8705 |
64 | 581 | 0.8698 |
65 | 6BK | 0.8697 |
66 | MHB | 0.8683 |
67 | 36K | 0.8660 |
68 | 1FL | 0.8657 |
69 | MHD GAL | 0.8641 |
70 | XDL XYP | 0.8639 |
71 | GAL FUC | 0.8627 |
72 | MMA XYP | 0.8621 |
73 | M3W | 0.8606 |
74 | U19 | 0.8570 |
75 | LAM | 0.8567 |
76 | IW1 | 0.8564 |
77 | NE1 | 0.8554 |
78 | 041 | 0.8553 |
79 | PCQ | 0.8552 |
80 | BQZ | 0.8545 |
81 | 6QT | 0.8540 |
82 | 2QV | 0.8539 |
83 | IDD | 0.8527 |