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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 | 3V1P | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
2 | 3G24 | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
3 | 1LOS | Ki = 64 nM | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
4 | 3NQG | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
5 | 3NQD | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
6 | 3LHY | - | BMQ | C9 H13 N2 O10 P | C1C(=O)NC(.... |
7 | 3LTS | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
8 | 3G1X | - | U | C9 H13 N2 O9 P | C1=CN(C(=O.... |
9 | 1KM0 | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
10 | 3WJX | Ki = 840 nM | NUP | C9 H14 N3 O9 P | C1=C(N(C(=.... |
11 | 1LP6 | - | C5P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
12 | 3LLF | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
13 | 3G1D | - | U | C9 H13 N2 O9 P | C1=CN(C(=O.... |
14 | 3LHT | - | BMQ | C9 H13 N2 O10 P | C1C(=O)NC(.... |
15 | 3NQE | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
16 | 3WK1 | - | O7E | C12 H17 N2 O11 P | CCOC(=O)C1.... |
17 | 1KM3 | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
18 | 3LV5 | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
19 | 3LHW | - | BMQ | C9 H13 N2 O10 P | C1C(=O)NC(.... |
20 | 1KM1 | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
21 | 3LV6 | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
22 | 3G1F | Ki = 100 uM | 2OM | C10 H15 N2 O11 P | C1[C@@H](N.... |
23 | 3M1Z | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
24 | 3W07 | Kd = 0.00042 M | U5P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
25 | 3PBU | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
26 | 1LOR | Ki = 8.8 pM | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
27 | 3NQC | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
28 | 3LHZ | - | BMQ | C9 H13 N2 O10 P | C1C(=O)NC(.... |
29 | 1KM2 | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
30 | 3PC0 | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
31 | 3WK2 | - | O7M | C11 H15 N2 O11 P | COC(=O)C1=.... |
32 | 3PBY | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
33 | 3LI0 | - | BMQ | C9 H13 N2 O10 P | C1C(=O)NC(.... |
34 | 1KM4 | - | U | C9 H13 N2 O9 P | C1=CN(C(=O.... |
35 | 3LHU | - | BMQ | C9 H13 N2 O10 P | C1C(=O)NC(.... |
36 | 3G22 | - | U | C9 H13 N2 O9 P | C1=CN(C(=O.... |
37 | 2ZZ1 | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
38 | 4GC4 | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
39 | 4FX8 | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
40 | 3LI1 | - | BMQ | C9 H13 N2 O10 P | C1C(=O)NC(.... |
41 | 1KLY | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
42 | 3G1V | - | 5FU | C9 H12 F N2 O9 P | C1=C(C(=O).... |
43 | 1DVJ | Ki = 0.51 mM | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
44 | 3LTY | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
45 | 3WJY | - | NUP | C9 H14 N3 O9 P | C1=C(N(C(=.... |
46 | 1KM5 | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
47 | 3PBW | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
48 | 3WK0 | - | O7M | C11 H15 N2 O11 P | COC(=O)C1=.... |
49 | 2ZZ7 | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
50 | 3NQM | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
51 | 4FX6 | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
52 | 3G1H | - | H2U | C9 H15 N2 O9 P | C1CN(C(=O).... |
53 | 4FXR | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
54 | 1KM6 | - | OMP | C10 H13 N2 O11 P | C1=C(N(C(=.... |
55 | 3LTP | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
56 | 3WJW | Ki = 134 uM | U6M | C10 H15 N2 O9 P | CC1=CC(=O).... |
57 | 3LLD | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
58 | 3NQF | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
59 | 1LOQ | Ki = 0.2 mM | U | C9 H13 N2 O9 P | C1=CN(C(=O.... |
60 | 3G1A | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
61 | 3PBV | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
62 | 3WK3 | - | O7E | C12 H17 N2 O11 P | CCOC(=O)C1.... |
63 | 3LHV | - | BMQ | C9 H13 N2 O10 P | C1C(=O)NC(.... |
64 | 1LOL | Ki = 0.41 uM | XMP | C10 H14 N4 O9 P | c1[nH+]c2c.... |
65 | 2ZZ5 | - | 6CN | C10 H12 N3 O9 P | C1=C(N(C(=.... |
66 | 1KLZ | - | U | C9 H13 N2 O9 P | C1=CN(C(=O.... |
67 | 3WJZ | - | NUP | C9 H14 N3 O9 P | C1=C(N(C(=.... |
68 | 1X1Z | Ki = 8.8 pM | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
69 | 2ZZ2 | - | 6CN | C10 H12 N3 O9 P | C1=C(N(C(=.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 3V1P | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
2 | 3G24 | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
3 | 1LOS | Ki = 64 nM | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
4 | 3NQG | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
5 | 3NQD | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
6 | 3LHY | - | BMQ | C9 H13 N2 O10 P | C1C(=O)NC(.... |
7 | 3LTS | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
8 | 3G1X | - | U | C9 H13 N2 O9 P | C1=CN(C(=O.... |
9 | 1KM0 | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
10 | 3WJX | Ki = 840 nM | NUP | C9 H14 N3 O9 P | C1=C(N(C(=.... |
11 | 1LP6 | - | C5P | C9 H14 N3 O8 P | C1=CN(C(=O.... |
12 | 3LLF | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
13 | 3G1D | - | U | C9 H13 N2 O9 P | C1=CN(C(=O.... |
14 | 3LHT | - | BMQ | C9 H13 N2 O10 P | C1C(=O)NC(.... |
15 | 3NQE | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
16 | 3WK1 | - | O7E | C12 H17 N2 O11 P | CCOC(=O)C1.... |
17 | 1KM3 | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
18 | 3LV5 | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
19 | 3LHW | - | BMQ | C9 H13 N2 O10 P | C1C(=O)NC(.... |
20 | 1KM1 | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
21 | 3LV6 | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
22 | 3G1F | Ki = 100 uM | 2OM | C10 H15 N2 O11 P | C1[C@@H](N.... |
23 | 3M1Z | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
24 | 3W07 | Kd = 0.00042 M | U5P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
25 | 3PBU | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
26 | 1LOR | Ki = 8.8 pM | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
27 | 3NQC | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
28 | 3LHZ | - | BMQ | C9 H13 N2 O10 P | C1C(=O)NC(.... |
29 | 1KM2 | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
30 | 3PC0 | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
31 | 3WK2 | - | O7M | C11 H15 N2 O11 P | COC(=O)C1=.... |
32 | 3PBY | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
33 | 3LI0 | - | BMQ | C9 H13 N2 O10 P | C1C(=O)NC(.... |
34 | 1KM4 | - | U | C9 H13 N2 O9 P | C1=CN(C(=O.... |
35 | 3LHU | - | BMQ | C9 H13 N2 O10 P | C1C(=O)NC(.... |
36 | 3G22 | - | U | C9 H13 N2 O9 P | C1=CN(C(=O.... |
37 | 2ZZ1 | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
38 | 4GC4 | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
39 | 4FX8 | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
40 | 3LI1 | - | BMQ | C9 H13 N2 O10 P | C1C(=O)NC(.... |
41 | 1KLY | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
42 | 3G1V | - | 5FU | C9 H12 F N2 O9 P | C1=C(C(=O).... |
43 | 1DVJ | Ki = 0.51 mM | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
44 | 3LTY | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
45 | 3WJY | - | NUP | C9 H14 N3 O9 P | C1=C(N(C(=.... |
46 | 1KM5 | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
47 | 3PBW | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
48 | 3WK0 | - | O7M | C11 H15 N2 O11 P | COC(=O)C1=.... |
49 | 2ZZ7 | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
50 | 3NQM | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
51 | 4FX6 | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
52 | 3G1H | - | H2U | C9 H15 N2 O9 P | C1CN(C(=O).... |
53 | 4FXR | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
54 | 1KM6 | - | OMP | C10 H13 N2 O11 P | C1=C(N(C(=.... |
55 | 3LTP | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
56 | 3WJW | Ki = 134 uM | U6M | C10 H15 N2 O9 P | CC1=CC(=O).... |
57 | 3LLD | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
58 | 3NQF | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
59 | 1LOQ | Ki = 0.2 mM | U | C9 H13 N2 O9 P | C1=CN(C(=O.... |
60 | 3G1A | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
61 | 3PBV | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
62 | 3WK3 | - | O7E | C12 H17 N2 O11 P | CCOC(=O)C1.... |
63 | 3LHV | - | BMQ | C9 H13 N2 O10 P | C1C(=O)NC(.... |
64 | 1LOL | Ki = 0.41 uM | XMP | C10 H14 N4 O9 P | c1[nH+]c2c.... |
65 | 2ZZ5 | - | 6CN | C10 H12 N3 O9 P | C1=C(N(C(=.... |
66 | 1KLZ | - | U | C9 H13 N2 O9 P | C1=CN(C(=O.... |
67 | 3WJZ | - | NUP | C9 H14 N3 O9 P | C1=C(N(C(=.... |
68 | 1X1Z | Ki = 8.8 pM | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
69 | 2ZZ2 | - | 6CN | C10 H12 N3 O9 P | C1=C(N(C(=.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | UP6 | 1 | 1 |
2 | U | 0.521127 | 0.884058 |
3 | U5P | 0.521127 | 0.884058 |
4 | S5P | 0.513889 | 0.802632 |
5 | BMP | 0.513889 | 0.847222 |
6 | NUP | 0.506849 | 0.824324 |
7 | U6M | 0.506849 | 0.859155 |
8 | JW5 | 0.5 | 0.847222 |
9 | 5FU | 0.493151 | 0.824324 |
10 | 6AU | 0.480519 | 0.859155 |
11 | OMP | 0.480519 | 0.859155 |
12 | 6CN | 0.480519 | 0.887324 |
13 | 5BU | 0.48 | 0.824324 |
14 | BMQ | 0.472222 | 0.884058 |
15 | H2U | 0.465753 | 0.859155 |
16 | O7M | 0.45679 | 0.835616 |
17 | 2OM | 0.454545 | 0.871429 |
18 | O7E | 0.445783 | 0.835616 |
19 | 8OP | 0.445783 | 0.826667 |
20 | CNU | 0.443038 | 0.861111 |
21 | TKW | 0.441558 | 0.875 |
22 | FNU | 0.441558 | 0.782051 |
23 | 8GM | 0.439024 | 0.831169 |
24 | C | 0.428571 | 0.887324 |
25 | CAR | 0.428571 | 0.887324 |
26 | C5P | 0.428571 | 0.887324 |
27 | 16B | 0.417722 | 0.876712 |
28 | 5HM | 0.4125 | 0.84 |
29 | UDP | 0.407407 | 0.871429 |
30 | 44P | 0.405063 | 0.835616 |
31 | ICR | 0.405063 | 0.859155 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PSU | 0.9878 |
2 | UMP | 0.9811 |
3 | DUS | 0.9754 |
4 | DCM | 0.9650 |
5 | DC | 0.9650 |
6 | DU | 0.9647 |
7 | PFU | 0.9644 |
8 | UMC | 0.9592 |
9 | 5IU | 0.9548 |
10 | DOC | 0.9532 |
11 | BRU | 0.9521 |
12 | UFP | 0.9515 |
13 | DDN | 0.9500 |
14 | TMP | 0.9493 |
15 | 5CM | 0.9489 |
16 | FDM | 0.9448 |
17 | FN5 | 0.9438 |
18 | IMP | 0.9433 |
19 | QBT | 0.9432 |
20 | CH | 0.9419 |
21 | AMP | 0.9400 |
22 | AIR | 0.9396 |
23 | U4S | 0.9390 |
24 | RVP | 0.9389 |
25 | 45A | 0.9386 |
26 | 2DT | 0.9373 |
27 | D4M | 0.9371 |
28 | MZP | 0.9347 |
29 | SRA | 0.9343 |
30 | 9L3 | 0.9342 |
31 | FMP | 0.9303 |
32 | ABM | 0.9288 |
33 | DI | 0.9277 |
34 | AMZ | 0.9272 |
35 | U2S | 0.9264 |
36 | NIA | 0.9259 |
37 | IRP | 0.9257 |
38 | 8BR | 0.9249 |
39 | NYM | 0.9247 |
40 | D5M | 0.9213 |
41 | DA | 0.9213 |
42 | 5HU | 0.9212 |
43 | C2R | 0.9208 |
44 | GAR | 0.9197 |
45 | U3S | 0.9195 |
46 | U1S | 0.9195 |
47 | AS | 0.9192 |
48 | IRN | 0.9151 |
49 | NMN | 0.9110 |
50 | ZAS | 0.9091 |
51 | N5O | 0.9088 |
52 | 6MA | 0.9075 |
53 | G | 0.9069 |
54 | 5GP | 0.9063 |
55 | T3S | 0.9043 |
56 | NEC | 0.9040 |
57 | XMP | 0.9014 |
58 | 71V | 0.9001 |
59 | ATM | 0.8961 |
60 | Z8B | 0.8958 |
61 | AFP | 0.8943 |
62 | PZB | 0.8925 |
63 | A3N | 0.8905 |
64 | IMU | 0.8903 |
65 | 6HW | 0.8879 |
66 | DRM | 0.8878 |
67 | DG | 0.8877 |
68 | DGP | 0.8877 |
69 | FBP | 0.8851 |
70 | FGR | 0.8836 |
71 | 49K | 0.8824 |
72 | FAI | 0.8817 |
73 | JLN | 0.8801 |
74 | O8M | 0.8789 |
75 | N8M | 0.8751 |
76 | MTA | 0.8741 |
77 | URI | 0.8739 |
78 | 2GE | 0.8732 |
79 | 6RE | 0.8720 |
80 | 9XZ | 0.8716 |
81 | J7C | 0.8713 |
82 | T1D | 0.8712 |
83 | TXS | 0.8703 |
84 | UDP UDP | 0.8702 |
85 | 8OG | 0.8701 |
86 | K8W | 0.8698 |
87 | K6B | 0.8676 |
88 | 43J | 0.8665 |
89 | CTN | 0.8659 |
90 | MTE | 0.8654 |
91 | IWH | 0.8637 |
92 | DUD | 0.8597 |
93 | AHG | 0.8585 |
94 | RVA | 0.8584 |
95 | TYD | 0.8582 |
96 | URD | 0.8575 |
97 | ADP | 0.8572 |
98 | 2TU | 0.8569 |
99 | MCF | 0.8525 |
100 | 90J | 0.8521 |
This union binding pocket(no: 1) in the query (biounit: 1lor.bio1) has 58 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1lor.bio1) has 58 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |