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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 271 families. | |||||
1 | 4WNB | - | 4BN | C43 H66 N7 O18 P3 S | C[C@@H]([C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 223 families. | |||||
1 | 4WNB | - | 4BN | C43 H66 N7 O18 P3 S | C[C@@H]([C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 5TW | 1 | 1 |
2 | 4BN | 1 | 1 |
3 | CO6 | 0.680723 | 0.935484 |
4 | YXR | 0.664706 | 0.852941 |
5 | YXS | 0.664706 | 0.852941 |
6 | MCA | 0.658824 | 0.925532 |
7 | ACO | 0.656627 | 0.946237 |
8 | OXK | 0.654762 | 0.914894 |
9 | UCA | 0.652406 | 0.956989 |
10 | IRC | 0.651163 | 0.924731 |
11 | BCO | 0.643275 | 0.914894 |
12 | 3KK | 0.639053 | 0.935484 |
13 | 2MC | 0.637427 | 0.957447 |
14 | MRS | 0.636872 | 0.93617 |
15 | MRR | 0.636872 | 0.93617 |
16 | COS | 0.634731 | 0.894737 |
17 | CAO | 0.634731 | 0.885417 |
18 | IVC | 0.633721 | 0.924731 |
19 | 3HC | 0.633721 | 0.924731 |
20 | 1VU | 0.631579 | 0.925532 |
21 | MC4 | 0.626437 | 0.947368 |
22 | MLC | 0.624277 | 0.914894 |
23 | 1HE | 0.624277 | 0.915789 |
24 | A1S | 0.624277 | 0.914894 |
25 | 1GZ | 0.622857 | 0.925532 |
26 | BYC | 0.622857 | 0.935484 |
27 | CMC | 0.622093 | 0.894737 |
28 | CAA | 0.62069 | 0.924731 |
29 | COO | 0.62069 | 0.935484 |
30 | FYN | 0.619883 | 0.913979 |
31 | BCA | 0.619318 | 0.925532 |
32 | 2CP | 0.617143 | 0.905263 |
33 | SCA | 0.617143 | 0.914894 |
34 | COK | 0.616279 | 0.894737 |
35 | SOP | 0.616279 | 0.914894 |
36 | COW | 0.613636 | 0.925532 |
37 | KFV | 0.613636 | 0.861386 |
38 | HGG | 0.613636 | 0.914894 |
39 | FAQ | 0.610169 | 0.935484 |
40 | F8G | 0.609626 | 0.978723 |
41 | 2NE | 0.608939 | 0.915789 |
42 | COA | 0.607143 | 0.913979 |
43 | 0T1 | 0.607143 | 0.893617 |
44 | GRA | 0.606742 | 0.914894 |
45 | HXC | 0.606742 | 0.93617 |
46 | 30N | 0.605882 | 0.841584 |
47 | UCC | 0.605556 | 0.93617 |
48 | DCC | 0.605556 | 0.93617 |
49 | 5F9 | 0.605556 | 0.93617 |
50 | MYA | 0.605556 | 0.93617 |
51 | ST9 | 0.605556 | 0.93617 |
52 | MFK | 0.605556 | 0.93617 |
53 | DCA | 0.60479 | 0.893617 |
54 | ETB | 0.60479 | 0.882979 |
55 | 3CP | 0.60452 | 0.894737 |
56 | 2KQ | 0.60452 | 0.93617 |
57 | 4KX | 0.604396 | 0.967742 |
58 | TGC | 0.603352 | 0.905263 |
59 | SO5 | 0.602273 | 0.84466 |
60 | LCV | 0.602273 | 0.84466 |
61 | 1CZ | 0.6 | 0.905263 |
62 | CO8 | 0.6 | 0.93617 |
63 | CS8 | 0.598901 | 0.926316 |
64 | WCA | 0.598901 | 0.93617 |
65 | FCX | 0.598837 | 0.865979 |
66 | FAM | 0.598837 | 0.875 |
67 | YZS | 0.597701 | 0.852941 |
68 | KGP | 0.597701 | 0.852941 |
69 | 0FQ | 0.596685 | 0.914894 |
70 | AMX | 0.596491 | 0.903226 |
71 | HDC | 0.595628 | 0.93617 |
72 | COF | 0.595506 | 0.876289 |
73 | 8Z2 | 0.594595 | 0.946809 |
74 | 0ET | 0.593407 | 0.915789 |
75 | CMX | 0.593023 | 0.893617 |
76 | SCO | 0.593023 | 0.893617 |
77 | HFQ | 0.592391 | 0.895833 |
78 | 4CA | 0.592179 | 0.905263 |
79 | CAJ | 0.590909 | 0.894737 |
80 | YNC | 0.589189 | 0.925532 |
81 | DAK | 0.589189 | 0.926316 |
82 | MCD | 0.588571 | 0.914894 |
83 | NHQ | 0.588235 | 0.904255 |
84 | 4CO | 0.587912 | 0.905263 |
85 | 01K | 0.587302 | 0.914894 |
86 | HAX | 0.586207 | 0.875 |
87 | NMX | 0.585227 | 0.831683 |
88 | 01A | 0.584699 | 0.877551 |
89 | CIC | 0.582418 | 0.894737 |
90 | SCD | 0.581921 | 0.893617 |
91 | J5H | 0.580645 | 0.935484 |
92 | CA6 | 0.579545 | 0.852941 |
93 | NHW | 0.578378 | 0.915789 |
94 | UOQ | 0.578378 | 0.915789 |
95 | NHM | 0.578378 | 0.915789 |
96 | YE1 | 0.575419 | 0.904255 |
97 | 1CV | 0.572973 | 0.914894 |
98 | KGJ | 0.569832 | 0.841584 |
99 | CA8 | 0.569061 | 0.852941 |
100 | KGA | 0.569061 | 0.833333 |
101 | 1HA | 0.565445 | 0.915789 |
102 | CCQ | 0.565217 | 0.896907 |
103 | COT | 0.559586 | 0.914894 |
104 | N9V | 0.556757 | 0.885417 |
105 | CA3 | 0.553846 | 0.914894 |
106 | S0N | 0.548387 | 0.894737 |
107 | 7L1 | 0.548023 | 0.946237 |
108 | RMW | 0.547739 | 0.915789 |
109 | CA5 | 0.54 | 0.877551 |
110 | JBT | 0.537383 | 0.89899 |
111 | 93P | 0.537313 | 0.905263 |
112 | 93M | 0.531707 | 0.905263 |
113 | CO7 | 0.524324 | 0.935484 |
114 | BUA COA | 0.508021 | 0.884211 |
115 | OXT | 0.504673 | 0.917526 |
116 | COD | 0.5 | 0.903226 |
117 | BSJ | 0.481481 | 0.886598 |
118 | PLM COA | 0.479592 | 0.905263 |
119 | DCR COA | 0.479592 | 0.905263 |
120 | MYR COA | 0.479592 | 0.905263 |
121 | EO3 COA | 0.479592 | 0.905263 |
122 | X90 COA | 0.479592 | 0.905263 |
123 | DAO COA | 0.479592 | 0.905263 |
124 | DKA COA | 0.479592 | 0.905263 |
125 | 6NA COA | 0.479381 | 0.905263 |
126 | HMG | 0.476923 | 0.884211 |
127 | COA FLC | 0.472826 | 0.882979 |
128 | ASP ASP ASP ILE NH2 CMC | 0.450237 | 0.85567 |
129 | RFC | 0.441176 | 0.93617 |
130 | SFC | 0.441176 | 0.93617 |
131 | ACE SER ASP ALY THR NH2 COA | 0.433036 | 0.875 |
132 | MET VAL ASN ALA CMC | 0.430493 | 0.875 |
133 | ACE MET LEU GLY PRO NH2 COA | 0.412766 | 0.875 |
134 | PAP | 0.406061 | 0.741935 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4wnb.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4wnb.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |