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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 1 families. | |||||
1 | 3G0I | - | VPR | C8 H17 N O | CCCC(CCC)C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 3G0I | - | VPR | C8 H17 N O | CCCC(CCC)C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | VPR | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | NFQ | 0.9456 |
2 | EKN | 0.9337 |
3 | AN0 | 0.9327 |
4 | P4B | 0.9297 |
5 | AOR | 0.9272 |
6 | DPJ | 0.9260 |
7 | DPF | 0.9233 |
8 | 1AL | 0.9197 |
9 | 12M | 0.9191 |
10 | CIT | 0.9176 |
11 | TRA | 0.9166 |
12 | NCD | 0.9161 |
13 | FLC | 0.9151 |
14 | 2EH | 0.9148 |
15 | GLY LEU | 0.9142 |
16 | TRC | 0.9103 |
17 | AME | 0.9101 |
18 | GLY PRO | 0.9099 |
19 | OEM | 0.9095 |
20 | MLE | 0.9094 |
21 | SC2 | 0.9083 |
22 | ICT | 0.9059 |
23 | CDT | 0.9057 |
24 | DIG | 0.9012 |
25 | ASP | 0.8992 |
26 | TEN | 0.8988 |
27 | NLQ | 0.8986 |
28 | NIG | 0.8985 |
29 | CDV | 0.8984 |
30 | CIZ | 0.8971 |
31 | 2PG | 0.8954 |
32 | AUD | 0.8940 |
33 | AH8 | 0.8937 |
34 | HCS | 0.8906 |
35 | GLY ASP | 0.8903 |
36 | SIF | 0.8900 |
37 | NTC | 0.8896 |
38 | ASN | 0.8886 |
39 | MEV | 0.8884 |
40 | II6 | 0.8881 |
41 | S76 | 0.8879 |
42 | XSP | 0.8877 |
43 | N8P | 0.8859 |
44 | G4D | 0.8853 |
45 | FPK | 0.8851 |
46 | NVA | 0.8846 |
47 | ORN | 0.8837 |
48 | 6LW | 0.8832 |
49 | 2DR | 0.8831 |
50 | ZZ3 | 0.8825 |
51 | BRR | 0.8823 |
52 | SF6 | 0.8818 |
53 | 2A7 | 0.8818 |
54 | HSE | 0.8815 |
55 | ATH | 0.8807 |
56 | GLY MET | 0.8805 |
57 | X1R | 0.8803 |
58 | V55 | 0.8798 |
59 | AQK | 0.8792 |
60 | PEZ | 0.8781 |
61 | NLG | 0.8778 |
62 | IPM | 0.8775 |
63 | V6F | 0.8768 |
64 | 32O | 0.8768 |
65 | GLY CYS | 0.8757 |
66 | IXW | 0.8757 |
67 | AS3 | 0.8754 |
68 | MET | 0.8748 |
69 | 0FA | 0.8748 |
70 | ORO | 0.8744 |
71 | C2A | 0.8741 |
72 | LEU | 0.8731 |
73 | DMO | 0.8731 |
74 | JYD | 0.8730 |
75 | 9X7 | 0.8727 |
76 | NLE | 0.8716 |
77 | P22 | 0.8709 |
78 | EV0 | 0.8706 |
79 | DAB | 0.8703 |
80 | HCA | 0.8703 |
81 | CSS | 0.8700 |
82 | 3Z7 | 0.8697 |
83 | P23 | 0.8695 |
84 | CCB | 0.8690 |
85 | 0CG | 0.8685 |
86 | OXC | 0.8683 |
87 | NTM | 0.8680 |
88 | SF9 | 0.8679 |
89 | MED | 0.8677 |
90 | 4SD | 0.8676 |
91 | PHT | 0.8674 |
92 | MLT | 0.8671 |
93 | NMJ | 0.8667 |
94 | JFJ | 0.8664 |
95 | D1X | 0.8659 |
96 | ITN | 0.8655 |
97 | B2J | 0.8652 |
98 | VOH | 0.8652 |
99 | EUG | 0.8642 |
100 | HCT | 0.8633 |
101 | 47J | 0.8627 |
102 | DOR | 0.8625 |
103 | LMR | 0.8617 |
104 | 34D | 0.8609 |
105 | 4HM | 0.8605 |
106 | 1U1 | 0.8603 |
107 | 8EW | 0.8601 |
108 | M2H | 0.8600 |
109 | KLW | 0.8595 |
110 | 3AL | 0.8595 |
111 | XYL | 0.8559 |
112 | RBL | 0.8557 |
113 | 5HY | 0.8555 |
114 | 4ZC | 0.8554 |
115 | ALA LEU | 0.8552 |
116 | AW5 | 0.8543 |
117 | RB0 | 0.8532 |
118 | RB5 | 0.8532 |
119 | 4XR | 0.8515 |
This union binding pocket(no: 1) in the query (biounit: 3g0i.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3g0i.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |