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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 2 families. | |||||
1 | 1LO7 | Kd = 0.33 uM | 4CO | C29 H42 N7 O18 P3 S | CC(C)(CO[P.... |
2 | 1LO8 | Ki = 0.26 uM | 4CA | C28 H42 N7 O17 P3 S | CC(C)(CO[P.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1LO7 | Kd = 0.33 uM | 4CO | C29 H42 N7 O18 P3 S | CC(C)(CO[P.... |
2 | 1LO8 | Ki = 0.26 uM | 4CA | C28 H42 N7 O17 P3 S | CC(C)(CO[P.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 4CA | 1 | 1 |
2 | SOP | 0.838462 | 0.966292 |
3 | CMC | 0.832061 | 0.966292 |
4 | COS | 0.828125 | 0.944444 |
5 | CAO | 0.828125 | 0.934066 |
6 | 4CO | 0.824818 | 1 |
7 | 2CP | 0.820895 | 0.955556 |
8 | A1S | 0.819549 | 0.966292 |
9 | ACO | 0.815385 | 0.934066 |
10 | BCA | 0.808824 | 0.977528 |
11 | FYN | 0.80303 | 0.965909 |
12 | 3KK | 0.80303 | 0.944444 |
13 | COF | 0.801471 | 0.945055 |
14 | 3CP | 0.801471 | 0.966292 |
15 | 30N | 0.8 | 0.885417 |
16 | COK | 0.796992 | 0.944444 |
17 | OXK | 0.796992 | 0.944444 |
18 | 1VU | 0.791045 | 0.934066 |
19 | CO6 | 0.791045 | 0.944444 |
20 | COA | 0.790698 | 0.965909 |
21 | 0T1 | 0.790698 | 0.94382 |
22 | DCA | 0.789062 | 0.922222 |
23 | 2MC | 0.785185 | 0.904255 |
24 | 01A | 0.780142 | 0.945652 |
25 | 0ET | 0.780142 | 0.945055 |
26 | MLC | 0.779412 | 0.944444 |
27 | 3HC | 0.779412 | 0.955056 |
28 | IVC | 0.779412 | 0.955056 |
29 | 1HE | 0.779412 | 0.945055 |
30 | BCO | 0.779412 | 0.944444 |
31 | CIC | 0.778571 | 0.966292 |
32 | HFQ | 0.776224 | 0.988764 |
33 | 1GZ | 0.775362 | 0.934066 |
34 | ETB | 0.775194 | 0.89011 |
35 | WCA | 0.774648 | 0.966667 |
36 | COO | 0.773723 | 0.944444 |
37 | CAA | 0.773723 | 0.955056 |
38 | MCA | 0.773723 | 0.934066 |
39 | 0FQ | 0.77305 | 0.988636 |
40 | AMX | 0.772727 | 0.954545 |
41 | FAQ | 0.769784 | 0.966292 |
42 | YXR | 0.768116 | 0.858586 |
43 | SCA | 0.768116 | 0.944444 |
44 | MC4 | 0.768116 | 0.894737 |
45 | YXS | 0.768116 | 0.858586 |
46 | SCO | 0.766917 | 0.94382 |
47 | CMX | 0.766917 | 0.94382 |
48 | COW | 0.76259 | 0.955556 |
49 | 2KQ | 0.76259 | 0.923913 |
50 | BYC | 0.76259 | 0.966292 |
51 | IRC | 0.76259 | 0.955056 |
52 | HGG | 0.76259 | 0.944444 |
53 | KFV | 0.76259 | 0.867347 |
54 | FAM | 0.761194 | 0.923077 |
55 | FCX | 0.761194 | 0.913043 |
56 | YE1 | 0.76087 | 0.977273 |
57 | TGC | 0.758865 | 0.955556 |
58 | MCD | 0.757353 | 0.923077 |
59 | UOQ | 0.756944 | 0.945055 |
60 | NHM | 0.756944 | 0.945055 |
61 | NHW | 0.756944 | 0.945055 |
62 | HAX | 0.755556 | 0.923077 |
63 | 2NE | 0.753521 | 0.966667 |
64 | GRA | 0.751773 | 0.944444 |
65 | HXC | 0.751773 | 0.923913 |
66 | SCD | 0.746377 | 0.94382 |
67 | KGP | 0.744526 | 0.858586 |
68 | YZS | 0.744526 | 0.858586 |
69 | CA6 | 0.744526 | 0.877551 |
70 | NHQ | 0.743243 | 0.977273 |
71 | CO8 | 0.741259 | 0.923913 |
72 | 1CZ | 0.741259 | 0.934066 |
73 | NMX | 0.73913 | 0.875 |
74 | 1CV | 0.737931 | 0.944444 |
75 | CS8 | 0.737931 | 0.934783 |
76 | MFK | 0.736111 | 0.923913 |
77 | UCC | 0.736111 | 0.923913 |
78 | MYA | 0.736111 | 0.923913 |
79 | ST9 | 0.736111 | 0.923913 |
80 | DCC | 0.736111 | 0.923913 |
81 | 5F9 | 0.736111 | 0.923913 |
82 | CAJ | 0.733813 | 0.923077 |
83 | KGJ | 0.728571 | 0.865979 |
84 | CA8 | 0.725352 | 0.877551 |
85 | KGA | 0.725352 | 0.857143 |
86 | COT | 0.723684 | 0.988636 |
87 | LCV | 0.723404 | 0.85 |
88 | SO5 | 0.723404 | 0.85 |
89 | 4KX | 0.721088 | 0.934783 |
90 | HDC | 0.721088 | 0.923913 |
91 | 01K | 0.717105 | 0.966292 |
92 | MRS | 0.716216 | 0.923913 |
93 | MRR | 0.716216 | 0.923913 |
94 | J5H | 0.711409 | 0.966292 |
95 | YNC | 0.711409 | 0.934066 |
96 | DAK | 0.711409 | 0.956044 |
97 | 8Z2 | 0.706667 | 0.913979 |
98 | CA3 | 0.703226 | 0.988636 |
99 | 1HA | 0.699346 | 0.966667 |
100 | CCQ | 0.693878 | 0.924731 |
101 | S0N | 0.693878 | 0.944444 |
102 | CA5 | 0.691824 | 0.945652 |
103 | F8G | 0.690323 | 0.905263 |
104 | 93P | 0.6875 | 0.977528 |
105 | RMW | 0.68125 | 0.945055 |
106 | 7L1 | 0.666667 | 0.934066 |
107 | 93M | 0.666667 | 0.977528 |
108 | UCA | 0.646341 | 0.945055 |
109 | COD | 0.642336 | 0.954545 |
110 | CO7 | 0.641892 | 0.944444 |
111 | OXT | 0.626437 | 0.905263 |
112 | N9V | 0.616883 | 0.892473 |
113 | COA FLC | 0.6 | 0.932584 |
114 | BUA COA | 0.598684 | 0.912088 |
115 | JBT | 0.593407 | 0.886598 |
116 | 5TW | 0.592179 | 0.905263 |
117 | 4BN | 0.592179 | 0.905263 |
118 | BSJ | 0.587571 | 0.956044 |
119 | 6NA COA | 0.579618 | 0.892473 |
120 | HMG | 0.575949 | 0.912088 |
121 | X90 COA | 0.56875 | 0.892473 |
122 | EO3 COA | 0.56875 | 0.892473 |
123 | MYR COA | 0.56875 | 0.892473 |
124 | DAO COA | 0.56875 | 0.892473 |
125 | DCR COA | 0.56875 | 0.892473 |
126 | DKA COA | 0.56875 | 0.892473 |
127 | PLM COA | 0.56875 | 0.892473 |
128 | ASP ASP ASP ILE NH2 CMC | 0.561404 | 0.923077 |
129 | PAP | 0.531746 | 0.784091 |
130 | ACE SER ASP ALY THR NH2 COA | 0.508021 | 0.923077 |
131 | MET VAL ASN ALA CMC | 0.505376 | 0.923077 |
132 | SFC | 0.5 | 0.945055 |
133 | RFC | 0.5 | 0.945055 |
134 | PPS | 0.484848 | 0.729167 |
135 | A3P | 0.484127 | 0.772727 |
136 | ACE MET LEU GLY PRO NH2 COA | 0.472362 | 0.923077 |
137 | 0WD | 0.470588 | 0.782609 |
138 | 5AD NJS | 0.453039 | 0.904255 |
139 | PTJ | 0.430556 | 0.842697 |
140 | 3AM | 0.425197 | 0.761364 |
141 | HQG | 0.421429 | 0.786517 |
142 | PUA | 0.419753 | 0.813187 |
143 | A22 | 0.41844 | 0.806818 |
144 | PAJ | 0.412587 | 0.853933 |
145 | A2D | 0.412214 | 0.795455 |
146 | 3OD | 0.410959 | 0.797753 |
147 | UBG | 0.410112 | 0.836957 |
148 | 9BG | 0.408805 | 0.782609 |
149 | AGS | 0.408759 | 0.78022 |
150 | ATR | 0.408759 | 0.772727 |
151 | ADP | 0.402985 | 0.795455 |
152 | ADQ | 0.402778 | 0.797753 |
153 | A2R | 0.401408 | 0.786517 |
154 | FYA | 0.401361 | 0.806818 |
155 | NJP | 0.4 | 0.820225 |
156 | 8LE | 0.4 | 0.820225 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 1lo8.bio1) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1lo8.bio1) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1lo8.bio1) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 1lo8.bio1) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |