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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 3R34 | Ki = 32 uM | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
2 | 3R3A | - | PHB | C7 H6 O3 | c1cc(ccc1C.... |
3 | 1Q4U | Ki = 0.6 uM | 4CA | C28 H42 N7 O17 P3 S | CC(C)(CO[P.... |
4 | 3TEA | Kd = 9 nM | 4CO | C29 H42 N7 O18 P3 S | CC(C)(CO[P.... |
5 | 3R3D | Kd = 13 nM | 4CO | C29 H42 N7 O18 P3 S | CC(C)(CO[P.... |
6 | 3R36 | - | PHB | C7 H6 O3 | c1cc(ccc1C.... |
7 | 3R37 | Kd = 27 nM | 4CO | C29 H42 N7 O18 P3 S | CC(C)(CO[P.... |
8 | 3R3C | Kd = 220 nM | 4CO | C29 H42 N7 O18 P3 S | CC(C)(CO[P.... |
9 | 3R35 | Kd = 2.2 nM | 4CO | C29 H42 N7 O18 P3 S | CC(C)(CO[P.... |
10 | 3R32 | Kd = 6 nM | 4CO | C29 H42 N7 O18 P3 S | CC(C)(CO[P.... |
11 | 3R3F | Kd = 37 nM | 4CO | C29 H42 N7 O18 P3 S | CC(C)(CO[P.... |
12 | 1Q4T | Ki = 0.003 uM | 4CO | C29 H42 N7 O18 P3 S | CC(C)(CO[P.... |
13 | 1Q4S | - | PHB | C7 H6 O3 | c1cc(ccc1C.... |
14 | 3R3B | Kd = 37 nM | 4CO | C29 H42 N7 O18 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 | 3R34 | Ki = 32 uM | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
2 | 3R3A | - | PHB | C7 H6 O3 | c1cc(ccc1C.... |
3 | 1Q4U | Ki = 0.6 uM | 4CA | C28 H42 N7 O17 P3 S | CC(C)(CO[P.... |
4 | 3TEA | Kd = 9 nM | 4CO | C29 H42 N7 O18 P3 S | CC(C)(CO[P.... |
5 | 3R3D | Kd = 13 nM | 4CO | C29 H42 N7 O18 P3 S | CC(C)(CO[P.... |
6 | 3R36 | - | PHB | C7 H6 O3 | c1cc(ccc1C.... |
7 | 3R37 | Kd = 27 nM | 4CO | C29 H42 N7 O18 P3 S | CC(C)(CO[P.... |
8 | 3R3C | Kd = 220 nM | 4CO | C29 H42 N7 O18 P3 S | CC(C)(CO[P.... |
9 | 3R35 | Kd = 2.2 nM | 4CO | C29 H42 N7 O18 P3 S | CC(C)(CO[P.... |
10 | 3R32 | Kd = 6 nM | 4CO | C29 H42 N7 O18 P3 S | CC(C)(CO[P.... |
11 | 3R3F | Kd = 37 nM | 4CO | C29 H42 N7 O18 P3 S | CC(C)(CO[P.... |
12 | 1Q4T | Ki = 0.003 uM | 4CO | C29 H42 N7 O18 P3 S | CC(C)(CO[P.... |
13 | 1Q4S | - | PHB | C7 H6 O3 | c1cc(ccc1C.... |
14 | 3R3B | Kd = 37 nM | 4CO | C29 H42 N7 O18 P3 S | CC(C)(CO[P.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 4CO | 1 | 1 |
2 | 01A | 0.917293 | 0.945652 |
3 | 0FQ | 0.895522 | 0.988636 |
4 | SOP | 0.869231 | 0.966292 |
5 | CMC | 0.848485 | 0.966292 |
6 | HFQ | 0.829787 | 0.988764 |
7 | 4CA | 0.824818 | 1 |
8 | BCA | 0.824818 | 0.977528 |
9 | COF | 0.817518 | 0.945055 |
10 | COS | 0.80303 | 0.944444 |
11 | CAO | 0.80303 | 0.934066 |
12 | A1S | 0.79562 | 0.966292 |
13 | ACO | 0.791045 | 0.934066 |
14 | 2CP | 0.784173 | 0.955556 |
15 | 3KK | 0.779412 | 0.944444 |
16 | FYN | 0.779412 | 0.965909 |
17 | 3CP | 0.778571 | 0.966292 |
18 | COK | 0.773723 | 0.944444 |
19 | OXK | 0.773723 | 0.944444 |
20 | UOQ | 0.772414 | 0.945055 |
21 | NHM | 0.772414 | 0.945055 |
22 | NHW | 0.772414 | 0.945055 |
23 | 1VU | 0.768116 | 0.934066 |
24 | CO6 | 0.768116 | 0.944444 |
25 | 0T1 | 0.766917 | 0.94382 |
26 | COA | 0.766917 | 0.965909 |
27 | WCA | 0.765517 | 0.966667 |
28 | DCA | 0.765152 | 0.922222 |
29 | 30N | 0.762963 | 0.885417 |
30 | 2MC | 0.76259 | 0.904255 |
31 | TGC | 0.762238 | 0.955556 |
32 | SCA | 0.758865 | 0.944444 |
33 | MC4 | 0.758865 | 0.894737 |
34 | MLC | 0.757143 | 0.944444 |
35 | BCO | 0.757143 | 0.944444 |
36 | IVC | 0.757143 | 0.955056 |
37 | 3HC | 0.757143 | 0.955056 |
38 | 1HE | 0.757143 | 0.945055 |
39 | CIC | 0.756944 | 0.966292 |
40 | BYC | 0.753521 | 0.966292 |
41 | IRC | 0.753521 | 0.955056 |
42 | ETB | 0.75188 | 0.89011 |
43 | FAM | 0.751825 | 0.923077 |
44 | MCA | 0.751773 | 0.934066 |
45 | CAA | 0.751773 | 0.955056 |
46 | COO | 0.751773 | 0.944444 |
47 | AMX | 0.75 | 0.954545 |
48 | NHQ | 0.746667 | 0.977273 |
49 | 0ET | 0.746575 | 0.945055 |
50 | YXR | 0.746479 | 0.858586 |
51 | YXS | 0.746479 | 0.858586 |
52 | 2NE | 0.744828 | 0.966667 |
53 | CMX | 0.744526 | 0.94382 |
54 | SCO | 0.744526 | 0.94382 |
55 | CS8 | 0.741497 | 0.934783 |
56 | HGG | 0.741259 | 0.944444 |
57 | KFV | 0.741259 | 0.867347 |
58 | COW | 0.741259 | 0.955556 |
59 | 2KQ | 0.741259 | 0.923913 |
60 | 1GZ | 0.741259 | 0.934066 |
61 | FCX | 0.73913 | 0.913043 |
62 | FAQ | 0.736111 | 0.966292 |
63 | MCD | 0.735714 | 0.923077 |
64 | HAX | 0.733813 | 0.923077 |
65 | 01K | 0.732026 | 0.966292 |
66 | GRA | 0.731034 | 0.944444 |
67 | HXC | 0.731034 | 0.923913 |
68 | COT | 0.727273 | 0.988636 |
69 | YE1 | 0.727273 | 0.977273 |
70 | SCD | 0.725352 | 0.94382 |
71 | KGP | 0.723404 | 0.858586 |
72 | CA6 | 0.723404 | 0.877551 |
73 | YZS | 0.723404 | 0.858586 |
74 | CO8 | 0.721088 | 0.923913 |
75 | 1CZ | 0.721088 | 0.934066 |
76 | NMX | 0.71831 | 0.875 |
77 | 5F9 | 0.716216 | 0.923913 |
78 | MYA | 0.716216 | 0.923913 |
79 | UCC | 0.716216 | 0.923913 |
80 | DCC | 0.716216 | 0.923913 |
81 | MFK | 0.716216 | 0.923913 |
82 | ST9 | 0.716216 | 0.923913 |
83 | J5H | 0.715232 | 0.966292 |
84 | CAJ | 0.713287 | 0.923077 |
85 | KGJ | 0.708333 | 0.865979 |
86 | 1CV | 0.706667 | 0.944444 |
87 | CA5 | 0.70625 | 0.945652 |
88 | DAK | 0.703947 | 0.956044 |
89 | LCV | 0.703448 | 0.85 |
90 | SO5 | 0.703448 | 0.85 |
91 | HDC | 0.701987 | 0.923913 |
92 | 4KX | 0.701987 | 0.934783 |
93 | MRS | 0.697368 | 0.923913 |
94 | MRR | 0.697368 | 0.923913 |
95 | KGA | 0.693878 | 0.857143 |
96 | CA8 | 0.693878 | 0.877551 |
97 | YNC | 0.69281 | 0.934066 |
98 | 8Z2 | 0.688312 | 0.913979 |
99 | S0N | 0.686667 | 0.944444 |
100 | CA3 | 0.685535 | 0.988636 |
101 | 1HA | 0.681529 | 0.966667 |
102 | 93M | 0.680723 | 0.977528 |
103 | F8G | 0.672956 | 0.905263 |
104 | 93P | 0.670732 | 0.977528 |
105 | CCQ | 0.664474 | 0.924731 |
106 | 7L1 | 0.648276 | 0.934066 |
107 | RMW | 0.644578 | 0.945055 |
108 | UCA | 0.630952 | 0.945055 |
109 | CO7 | 0.625 | 0.944444 |
110 | COD | 0.624114 | 0.954545 |
111 | N9V | 0.621795 | 0.892473 |
112 | OXT | 0.594444 | 0.905263 |
113 | 5TW | 0.587912 | 0.905263 |
114 | 4BN | 0.587912 | 0.905263 |
115 | BSJ | 0.583333 | 0.956044 |
116 | ASP ASP ASP ILE NH2 CMC | 0.575581 | 0.923077 |
117 | COA FLC | 0.573333 | 0.932584 |
118 | BUA COA | 0.573248 | 0.912088 |
119 | JBT | 0.56383 | 0.886598 |
120 | 6NA COA | 0.555556 | 0.892473 |
121 | HMG | 0.552147 | 0.912088 |
122 | EO3 COA | 0.545455 | 0.892473 |
123 | X90 COA | 0.545455 | 0.892473 |
124 | DKA COA | 0.545455 | 0.892473 |
125 | DAO COA | 0.545455 | 0.892473 |
126 | PLM COA | 0.545455 | 0.892473 |
127 | DCR COA | 0.545455 | 0.892473 |
128 | MYR COA | 0.545455 | 0.892473 |
129 | MET VAL ASN ALA CMC | 0.518717 | 0.923077 |
130 | PAP | 0.515385 | 0.784091 |
131 | ACE SER ASP ALY THR NH2 COA | 0.513228 | 0.923077 |
132 | ACE MET LEU GLY PRO NH2 COA | 0.492462 | 0.923077 |
133 | SFC | 0.471591 | 0.945055 |
134 | RFC | 0.471591 | 0.945055 |
135 | PPS | 0.470588 | 0.729167 |
136 | A3P | 0.469231 | 0.772727 |
137 | 0WD | 0.458599 | 0.782609 |
138 | 5AD NJS | 0.435484 | 0.904255 |
139 | PTJ | 0.418919 | 0.842697 |
140 | PUA | 0.418182 | 0.813187 |
141 | 3AM | 0.412214 | 0.761364 |
142 | UBG | 0.40884 | 0.836957 |
143 | NJP | 0.407407 | 0.820225 |
144 | 9BG | 0.407407 | 0.782609 |
145 | A22 | 0.406897 | 0.806818 |
146 | PAJ | 0.401361 | 0.853933 |
147 | A2D | 0.4 | 0.795455 |
148 | HQG | 0.4 | 0.786517 |
149 | 3OD | 0.4 | 0.797753 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 3r35.bio1) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4K4D | HFQ | 40.8759 |
2 | 4K4D | HFQ | 40.8759 |
This union binding pocket(no: 2) in the query (biounit: 3r35.bio1) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 3r35.bio1) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4K4D | HFQ | 40.8759 |
2 | 4K4D | HFQ | 40.8759 |
This union binding pocket(no: 4) in the query (biounit: 3r35.bio1) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |