- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 | 1KGT | - | SCA | C25 H40 N7 O19 P3 S | CC(C)(CO[P.... |
2 | 3TDT | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
3 | 1KGQ | - | SCO | C25 H41 N8 O19 P3 | CC(C)(CO[P.... |
4 | 2TDT | - | NPI | C7 H13 N O4 | C(CCC(=O)O.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1KGT | - | SCA | C25 H40 N7 O19 P3 S | CC(C)(CO[P.... |
2 | 3TDT | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
3 | 1KGQ | - | SCO | C25 H41 N8 O19 P3 | CC(C)(CO[P.... |
4 | 2TDT | - | NPI | C7 H13 N O4 | C(CCC(=O)O.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PML | 1 | 1 |
2 | AZ1 | 0.833333 | 0.95 |
3 | 0L1 | 0.764706 | 0.947368 |
4 | SHV | 0.681818 | 0.625 |
5 | OCA | 0.652174 | 0.6 |
6 | 11A | 0.625 | 0.6 |
7 | 12H | 0.625 | 0.73913 |
8 | KNA | 0.625 | 0.6 |
9 | DCR | 0.625 | 0.6 |
10 | EW8 | 0.625 | 0.6 |
11 | MYR | 0.625 | 0.6 |
12 | DAO | 0.625 | 0.6 |
13 | PLM | 0.625 | 0.6 |
14 | F23 | 0.625 | 0.6 |
15 | TDA | 0.625 | 0.6 |
16 | STE | 0.625 | 0.6 |
17 | X90 | 0.625 | 0.6 |
18 | DKA | 0.625 | 0.6 |
19 | F15 | 0.625 | 0.6 |
20 | BRC | 0.6 | 0.652174 |
21 | SHO | 0.590909 | 0.727273 |
22 | GUA | 0.578947 | 0.894737 |
23 | KAP | 0.551724 | 0.62069 |
24 | KTC | 0.5 | 0.653846 |
25 | 9J6 | 0.5 | 0.72 |
26 | SIN | 0.5 | 0.789474 |
27 | NPI | 0.482759 | 0.666667 |
28 | MYZ | 0.46875 | 0.6 |
29 | OOG | 0.423077 | 0.809524 |
30 | ODD | 0.416667 | 0.615385 |
31 | IKT | 0.416667 | 0.703704 |
32 | CWL | 0.416667 | 0.703704 |
33 | 11C | 0.413793 | 0.62963 |
34 | UN1 | 0.413793 | 0.62963 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | SCA | 1 | 1 |
2 | GRA | 0.899225 | 1 |
3 | 1HE | 0.889764 | 0.955556 |
4 | BCO | 0.889764 | 0.977273 |
5 | MLC | 0.889764 | 1 |
6 | 1VU | 0.874016 | 0.966292 |
7 | HGG | 0.869231 | 1 |
8 | 3HC | 0.860465 | 0.988506 |
9 | IVC | 0.860465 | 0.988506 |
10 | ACO | 0.857143 | 0.966292 |
11 | HXC | 0.856061 | 0.955556 |
12 | CAA | 0.853846 | 0.988506 |
13 | OXK | 0.851562 | 1 |
14 | TGC | 0.849624 | 0.988636 |
15 | 3KK | 0.84375 | 0.977273 |
16 | CO8 | 0.843284 | 0.955556 |
17 | COS | 0.84127 | 0.955056 |
18 | CAO | 0.84127 | 0.944444 |
19 | MFK | 0.837037 | 0.955556 |
20 | MYA | 0.837037 | 0.955556 |
21 | 5F9 | 0.837037 | 0.955556 |
22 | DCC | 0.837037 | 0.955556 |
23 | ST9 | 0.837037 | 0.955556 |
24 | UCC | 0.837037 | 0.955556 |
25 | SCO | 0.834646 | 0.977012 |
26 | FAQ | 0.834586 | 0.977273 |
27 | CMC | 0.830769 | 0.977273 |
28 | CO6 | 0.830769 | 0.977273 |
29 | MCA | 0.825758 | 0.988636 |
30 | 2MC | 0.824427 | 0.934783 |
31 | CMX | 0.820312 | 0.977012 |
32 | FYN | 0.815385 | 0.977012 |
33 | 3CP | 0.813433 | 0.977273 |
34 | 30N | 0.8125 | 0.894737 |
35 | COO | 0.81203 | 0.977273 |
36 | SCD | 0.810606 | 0.977012 |
37 | SOP | 0.80916 | 0.955056 |
38 | COK | 0.80916 | 0.955056 |
39 | BCA | 0.807407 | 0.966292 |
40 | YNC | 0.807143 | 0.966292 |
41 | MC4 | 0.80597 | 0.924731 |
42 | YXS | 0.80597 | 0.886598 |
43 | YXR | 0.80597 | 0.886598 |
44 | COA | 0.80315 | 0.977012 |
45 | 0T1 | 0.80315 | 0.954545 |
46 | 1CZ | 0.80292 | 0.988636 |
47 | DCA | 0.801587 | 0.932584 |
48 | BYC | 0.8 | 0.977273 |
49 | 2KQ | 0.8 | 0.977528 |
50 | 1GZ | 0.8 | 0.966292 |
51 | COF | 0.8 | 0.934066 |
52 | KFV | 0.8 | 0.895833 |
53 | IRC | 0.8 | 0.988506 |
54 | COW | 0.8 | 0.966292 |
55 | CS8 | 0.798561 | 0.945055 |
56 | HDC | 0.792857 | 0.955556 |
57 | 2CP | 0.792593 | 0.966292 |
58 | A1S | 0.791045 | 0.955056 |
59 | ETB | 0.787402 | 0.9 |
60 | FCX | 0.78626 | 0.944444 |
61 | AMX | 0.784615 | 0.965517 |
62 | MCD | 0.781955 | 0.955056 |
63 | CIC | 0.776978 | 0.977273 |
64 | 2NE | 0.776978 | 0.955556 |
65 | FAM | 0.772727 | 0.933333 |
66 | 4CA | 0.768116 | 0.944444 |
67 | HAX | 0.766917 | 0.933333 |
68 | WCA | 0.760563 | 0.955556 |
69 | 1CV | 0.760563 | 1 |
70 | 4CO | 0.758865 | 0.944444 |
71 | 0FQ | 0.758865 | 0.955056 |
72 | CAJ | 0.757353 | 0.955056 |
73 | CA6 | 0.755556 | 0.867347 |
74 | KGP | 0.755556 | 0.886598 |
75 | YZS | 0.755556 | 0.886598 |
76 | 4KX | 0.755245 | 0.945055 |
77 | 01A | 0.753521 | 0.913979 |
78 | MRR | 0.75 | 0.955556 |
79 | NMX | 0.75 | 0.884211 |
80 | MRS | 0.75 | 0.955556 |
81 | J5H | 0.744828 | 0.977273 |
82 | DAK | 0.744828 | 0.945055 |
83 | 0ET | 0.741259 | 0.934066 |
84 | 8Z2 | 0.739726 | 0.945055 |
85 | CCQ | 0.739437 | 0.934783 |
86 | S0N | 0.739437 | 0.955056 |
87 | KGJ | 0.73913 | 0.875 |
88 | LCV | 0.733813 | 0.896907 |
89 | YE1 | 0.733813 | 0.94382 |
90 | SO5 | 0.733813 | 0.896907 |
91 | NHM | 0.731034 | 0.934066 |
92 | UOQ | 0.731034 | 0.934066 |
93 | NHW | 0.731034 | 0.934066 |
94 | UCA | 0.729032 | 0.955556 |
95 | HFQ | 0.726027 | 0.934066 |
96 | CA8 | 0.723404 | 0.886598 |
97 | KGA | 0.723404 | 0.885417 |
98 | F8G | 0.721854 | 0.935484 |
99 | 1HA | 0.72 | 0.955556 |
100 | NHQ | 0.718121 | 0.965909 |
101 | COT | 0.710526 | 0.955056 |
102 | 01K | 0.703947 | 0.955056 |
103 | 7L1 | 0.70073 | 0.966292 |
104 | CA3 | 0.690323 | 0.955056 |
105 | CA5 | 0.679245 | 0.913979 |
106 | BUA COA | 0.673611 | 0.94382 |
107 | CO7 | 0.673611 | 0.977273 |
108 | RMW | 0.66875 | 0.955556 |
109 | 93P | 0.664596 | 0.966292 |
110 | 93M | 0.654545 | 0.966292 |
111 | COD | 0.651852 | 0.965517 |
112 | 6NA COA | 0.651007 | 0.923077 |
113 | N9V | 0.646667 | 0.944444 |
114 | X90 COA | 0.638158 | 0.923077 |
115 | DCR COA | 0.638158 | 0.923077 |
116 | EO3 COA | 0.638158 | 0.923077 |
117 | DAO COA | 0.638158 | 0.923077 |
118 | DKA COA | 0.638158 | 0.923077 |
119 | PLM COA | 0.638158 | 0.923077 |
120 | MYR COA | 0.638158 | 0.923077 |
121 | HMG | 0.625 | 0.965909 |
122 | 4BN | 0.617143 | 0.914894 |
123 | 5TW | 0.617143 | 0.914894 |
124 | OXT | 0.614943 | 0.914894 |
125 | JBT | 0.6 | 0.915789 |
126 | COA FLC | 0.597222 | 0.943182 |
127 | BSJ | 0.585227 | 0.945055 |
128 | ASP ASP ASP ILE NH2 CMC | 0.558824 | 0.933333 |
129 | PAP | 0.540323 | 0.793103 |
130 | RFC | 0.505952 | 0.955556 |
131 | SFC | 0.505952 | 0.955556 |
132 | PPS | 0.503876 | 0.736842 |
133 | MET VAL ASN ALA CMC | 0.502703 | 0.912088 |
134 | ACE SER ASP ALY THR NH2 COA | 0.497326 | 0.933333 |
135 | A3P | 0.491935 | 0.781609 |
136 | 0WD | 0.476821 | 0.771739 |
137 | ACE MET LEU GLY PRO NH2 COA | 0.469697 | 0.912088 |
138 | 5AD NJS | 0.458101 | 0.934783 |
139 | PTJ | 0.43662 | 0.873563 |
140 | 3AM | 0.432 | 0.770115 |
141 | AGS | 0.425373 | 0.808989 |
142 | PUA | 0.425 | 0.802198 |
143 | A22 | 0.42446 | 0.795455 |
144 | A2D | 0.418605 | 0.784091 |
145 | PAJ | 0.41844 | 0.885057 |
146 | HQG | 0.417266 | 0.816092 |
147 | 3OD | 0.416667 | 0.827586 |
148 | ATR | 0.414815 | 0.781609 |
149 | UBG | 0.414773 | 0.826087 |
150 | 9BG | 0.414013 | 0.771739 |
151 | NA7 | 0.412587 | 0.83908 |
152 | BA3 | 0.412214 | 0.784091 |
153 | HEJ | 0.410448 | 0.804598 |
154 | ATP | 0.410448 | 0.804598 |
155 | B4P | 0.409091 | 0.784091 |
156 | ADP | 0.409091 | 0.804598 |
157 | AP5 | 0.409091 | 0.784091 |
158 | 48N | 0.407895 | 0.811111 |
159 | 5FA | 0.407407 | 0.804598 |
160 | AQP | 0.407407 | 0.804598 |
161 | A2R | 0.407143 | 0.816092 |
162 | 8LE | 0.405797 | 0.850575 |
163 | NJP | 0.405063 | 0.788889 |
164 | OAD | 0.402778 | 0.827586 |
165 | WAQ | 0.4 | 0.862069 |
166 | J4G | 0.4 | 0.850575 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | RES | 1.0000 |
2 | GVA | 0.9936 |
3 | TEG | 0.9610 |
4 | 4DI | 0.9594 |
5 | MLY | 0.9585 |
6 | DHH | 0.9518 |
7 | 6HN | 0.9477 |
8 | CIR | 0.9450 |
9 | GGB | 0.9449 |
10 | ILO | 0.9432 |
11 | ARG | 0.9432 |
12 | 4TB | 0.9421 |
13 | IAR | 0.9410 |
14 | DAR | 0.9410 |
15 | 011 | 0.9394 |
16 | 8AC | 0.9392 |
17 | LYS | 0.9328 |
18 | SPD | 0.9316 |
19 | 26P | 0.9316 |
20 | EXY | 0.9311 |
21 | MLZ | 0.9311 |
22 | CLT | 0.9284 |
23 | WT2 | 0.9275 |
24 | 4JK | 0.9272 |
25 | LPB | 0.9260 |
26 | LPA | 0.9258 |
27 | HC4 | 0.9258 |
28 | KPC | 0.9250 |
29 | 7XA | 0.9240 |
30 | ENV | 0.9239 |
31 | XRX | 0.9236 |
32 | AKG | 0.9234 |
33 | LVD | 0.9233 |
34 | ENW | 0.9223 |
35 | OYA | 0.9221 |
36 | AHN | 0.9221 |
37 | 7BC | 0.9221 |
38 | VUR | 0.9211 |
39 | ODI | 0.9186 |
40 | JX7 | 0.9185 |
41 | GRQ | 0.9166 |
42 | OC9 | 0.9166 |
43 | ABH | 0.9159 |
44 | 58X | 0.9158 |
45 | NNH | 0.9152 |
46 | DLY | 0.9147 |
47 | AG2 | 0.9147 |
48 | HPL | 0.9144 |
49 | HAR | 0.9144 |
50 | LUQ | 0.9132 |
51 | M3L | 0.9131 |
52 | N6C | 0.9127 |
53 | Q06 | 0.9127 |
54 | DIA | 0.9125 |
55 | ZZU | 0.9118 |
56 | GGG | 0.9113 |
57 | Z70 | 0.9113 |
58 | 5TO | 0.9111 |
59 | D10 | 0.9108 |
60 | N8C | 0.9104 |
61 | NMM | 0.9100 |
62 | KDG | 0.9100 |
63 | 1HS | 0.9097 |
64 | M1T | 0.9089 |
65 | 2NP | 0.9078 |
66 | 6FG | 0.9078 |
67 | 6C8 | 0.9078 |
68 | NOT | 0.9076 |
69 | FB6 | 0.9076 |
70 | XI7 | 0.9070 |
71 | NSD | 0.9059 |
72 | 6XA | 0.9052 |
73 | B3M | 0.9040 |
74 | HPN | 0.9039 |
75 | P81 | 0.9034 |
76 | 64Z | 0.9034 |
77 | PJL | 0.9030 |
78 | FXY | 0.9029 |
79 | ACA | 0.9019 |
80 | AE3 | 0.9018 |
81 | 2FM | 0.9018 |
82 | API | 0.9010 |
83 | MF3 | 0.9009 |
84 | SLZ | 0.9005 |
85 | SB7 | 0.8997 |
86 | DIR | 0.8991 |
87 | 4ZD | 0.8990 |
88 | AZM | 0.8984 |
89 | TCA | 0.8982 |
90 | ALY | 0.8982 |
91 | GLY GLY GLY | 0.8981 |
92 | KQY | 0.8980 |
93 | AHL | 0.8978 |
94 | PRO GLY | 0.8978 |
95 | GB5 | 0.8974 |
96 | 3YP | 0.8969 |
97 | NWH | 0.8969 |
98 | CUW | 0.8964 |
99 | FOM | 0.8963 |
100 | S8V | 0.8963 |
101 | MHN | 0.8962 |
102 | 1PS | 0.8962 |
103 | ONH | 0.8959 |
104 | 37E | 0.8959 |
105 | 2JJ | 0.8957 |
106 | 5OY | 0.8957 |
107 | S2C | 0.8952 |
108 | CXP | 0.8945 |
109 | O45 | 0.8944 |
110 | 6C9 | 0.8942 |
111 | 1N5 | 0.8939 |
112 | DLT | 0.8934 |
113 | 9YT | 0.8934 |
114 | DHC | 0.8933 |
115 | HRG | 0.8922 |
116 | 2J3 | 0.8918 |
117 | DNN | 0.8917 |
118 | 5PV | 0.8916 |
119 | F98 | 0.8910 |
120 | EGV | 0.8904 |
121 | XOG | 0.8902 |
122 | P93 | 0.8902 |
123 | IVL | 0.8901 |
124 | HJD | 0.8886 |
125 | HPO | 0.8885 |
126 | NMH | 0.8884 |
127 | HGA | 0.8883 |
128 | 6C4 | 0.8879 |
129 | HSA | 0.8873 |
130 | BL0 | 0.8865 |
131 | L06 | 0.8864 |
132 | 11X | 0.8863 |
133 | IJ6 | 0.8862 |
134 | 6C5 | 0.8859 |
135 | SS9 | 0.8859 |
136 | KLS | 0.8858 |
137 | DZA | 0.8857 |
138 | A5P | 0.8851 |
139 | E8U | 0.8843 |
140 | MGB | 0.8839 |
141 | DXP | 0.8834 |
142 | M3P | 0.8834 |
143 | 7UC | 0.8833 |
144 | 650 | 0.8831 |
145 | OKP | 0.8828 |
146 | KPV | 0.8825 |
147 | DA3 | 0.8820 |
148 | 5LD | 0.8818 |
149 | DA2 | 0.8818 |
150 | OJD | 0.8813 |
151 | BCH | 0.8809 |
152 | 7OD | 0.8793 |
153 | DHM | 0.8791 |
154 | DER | 0.8788 |
155 | 5AB | 0.8787 |
156 | PAU | 0.8785 |
157 | DDW | 0.8779 |
158 | PMV | 0.8778 |
159 | RGP | 0.8776 |
160 | HNE | 0.8766 |
161 | SSC | 0.8758 |
162 | 3GZ | 0.8751 |
163 | 7O4 | 0.8750 |
164 | PBN | 0.8748 |
165 | 4TP | 0.8747 |
166 | Q9Z | 0.8746 |
167 | 5DL | 0.8744 |
168 | 16D | 0.8744 |
169 | NF3 | 0.8741 |
170 | JF5 | 0.8740 |
171 | DXG | 0.8737 |
172 | 3KJ | 0.8734 |
173 | 7C3 | 0.8733 |
174 | 8SZ | 0.8729 |
175 | DEZ | 0.8723 |
176 | GLR | 0.8717 |
177 | 4YZ | 0.8716 |
178 | 3H2 | 0.8713 |
179 | KLE | 0.8711 |
180 | IPR | 0.8705 |
181 | P80 | 0.8705 |
182 | SZ7 | 0.8704 |
183 | TBJ | 0.8701 |
184 | BGT | 0.8699 |
185 | I58 | 0.8699 |
186 | QFJ | 0.8694 |
187 | IPE | 0.8691 |
188 | TZP | 0.8691 |
189 | N9J | 0.8686 |
190 | OCT | 0.8683 |
191 | 3OL | 0.8677 |
192 | SSB | 0.8670 |
193 | PG0 | 0.8668 |
194 | 3XH | 0.8667 |
195 | DMA | 0.8665 |
196 | 1X4 | 0.8661 |
197 | DED | 0.8661 |
198 | 5XA | 0.8660 |
199 | NTU | 0.8658 |
200 | LX1 | 0.8651 |
201 | HLP | 0.8649 |
202 | 3VQ | 0.8646 |
203 | R10 | 0.8642 |
204 | PC | 0.8640 |
205 | REG | 0.8636 |
206 | LXP | 0.8635 |
207 | J4K | 0.8634 |
208 | NFZ | 0.8629 |
209 | A51 | 0.8628 |
210 | 0QA | 0.8624 |
211 | 5KJ | 0.8621 |
212 | 5RP | 0.8619 |
213 | 492 | 0.8608 |
214 | R5P | 0.8607 |
215 | D4G | 0.8606 |
216 | VFG | 0.8598 |
217 | BSA | 0.8597 |
218 | J9Y | 0.8588 |
219 | 9GB | 0.8587 |
220 | 6MW | 0.8581 |
221 | U4G | 0.8580 |
222 | 6FR | 0.8575 |
223 | GHQ | 0.8573 |
224 | 3OM | 0.8570 |
225 | 3CX | 0.8568 |
226 | 1H1 | 0.8562 |
227 | PUE | 0.8556 |
228 | 5H6 | 0.8555 |
229 | 2O8 | 0.8552 |
230 | X1R | 0.8552 |
231 | BHL | 0.8546 |
232 | DST | 0.8535 |
233 | MZM | 0.8518 |
234 | 1KJ | 0.8516 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 1kgq.bio1) has 47 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1kgq.bio1) has 47 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1kgq.bio1) has 47 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 1kgq.bio1) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 1kgq.bio1) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 1kgq.bio1) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |