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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 8 families. | |||||
1 | 3SKK | - | 4U7 | C7 H15 B F2 N O5 | [B-](CCCC[.... |
2 | 3GN0 | Ki = 3.9 mM | DMO | C6 H12 F2 N2 O2 | C(CC(C(F)F.... |
3 | 1WVA | Kd = 270 nM | S2C | C5 H13 B N O5 S | [B-](CCSC[.... |
4 | 3KV2 | Kd = 47.51 nM | NNH | C5 H12 N4 O3 | [H]/N=C(/N.... |
5 | 2PHO | Kd > 0.1 mM | TSZ | C H5 N3 S | C(=S)(N)NN |
6 | 6V7D | ic50 = 22 nM | QR4 | C11 H24 B N2 O5 | [B-](CCC[C.... |
7 | 4IE1 | - | 1EC | C9 H21 B N O6 | [B-](CCCC[.... |
8 | 3MFW | Ki = 300 uM | B3U | C6 H10 N4 O2 | c1c([nH]c(.... |
9 | 3LP4 | Kd = 13100 nM | LYS | C6 H15 N2 O2 | C(CC[NH3+].... |
10 | 3GMZ | - | ORN | C5 H12 N2 O2 | C(C[C@@H](.... |
11 | 4GSZ | - | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
12 | 3SJT | - | 5AB | C7 H17 B N O5 | [B-](CCCC[.... |
13 | 2PLL | Kd = 5 nM | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
14 | 3MFV | Ki = 3000 uM | Z70 | C7 H12 N4 O2 | c1c([nH]c(.... |
15 | 4GSV | - | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
16 | 3DJ8 | - | EXY | C8 H15 N O3 | C1[C@H](O1.... |
17 | 1WVB | - | S2C | C5 H13 B N O5 S | [B-](CCSC[.... |
18 | 4HWW | ic50 = 223 nM | X7A | C13 H28 B N2 O5 | [B-](CCCC[.... |
19 | 3E6V | Kd = 147 nM | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
20 | 3THH | - | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
21 | 6V7E | ic50 = 2 nM | QRA | C12 H24 B N2 O5 | [B-](CCC[C.... |
22 | 3LP7 | Kd = 3600 nM | HAR | C6 H14 N4 O3 | C(C[C@@H](.... |
23 | 2AEB | Kd = 5 nM | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
24 | 3THJ | - | ORN | C5 H12 N2 O2 | C(C[C@@H](.... |
25 | 6V7F | ic50 = 14 nM | QRJ | C12 H26 B N2 O5 | [B-](CCC[C.... |
26 | 3F80 | Kd = 60 uM | 6HN | C6 H12 N2 O4 | C(CC[N+](=.... |
27 | 3E6K | Kd = 7000 nM | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
28 | 4HXQ | ic50 = 60 nM | X8A | C14 H30 B N2 O5 | [B-](CCCC[.... |
29 | 4GWD | - | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
30 | 6V7C | ic50 = 29 nM | QR1 | C11 H24 B N2 O5 | [B-](CCC[C.... |
31 | 4I06 | ic50 = 67 nM | X8A | C14 H30 B N2 O5 | [B-](CCCC[.... |
32 | 4IXV | ic50 = 240 nM | XA1 | C18 H29 B Cl N2 O5 | [B-](CCCC[.... |
33 | 4IE3 | ic50 = 980 nM | 1EE | C13 H28 B N2 O6 | [B-](CCCC[.... |
34 | 4IE2 | ic50 = 4500 nM | 1EC | C9 H21 B N O6 | [B-](CCCC[.... |
35 | 4HZE | ic50 = 509 nM | X7A | C13 H28 B N2 O5 | [B-](CCCC[.... |
36 | 6Q37 | ic50 = 440 nM | HE8 | C8 H18 B N2 O5 | [B-](CCC[C.... |
37 | 6Q39 | ic50 = 16 nM | HDQ | C14 H29 B N3 O5 | [B-](CCC[C.... |
38 | 4IXU | ic50 = 23 nM | 38I | C20 H30 B Cl2 N2 O5 | [B-](CCCC[.... |
39 | 1T5G | - | ARG | C6 H15 N4 O2 | C(C[C@@H](.... |
40 | 1D3V | Kd = 0.11 uM | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
41 | 1HQG | - | ORN | C5 H12 N2 O2 | C(C[C@@H](.... |
42 | 1T4T | ic50 < 400 uM | DIR | C4 H10 N4 O3 | C([C@@H](C.... |
43 | 1T5F | Ki = 60 uM | DHH | C7 H15 N O4 | C(CCC(O)O).... |
44 | 1P8R | - | S2C | C5 H13 B N O5 S | [B-](CCSC[.... |
45 | 1HQ5 | Kd = 2.22 uM | S2C | C5 H13 B N O5 S | [B-](CCSC[.... |
46 | 3E9B | Ki = 4500 nM | S2C | C5 H13 B N O5 S | [B-](CCSC[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 4Q3S | Kd = 0.26 uM | X7A | C13 H28 B N2 O5 | [B-](CCCC[.... |
2 | 4Q42 | - | ORN | C5 H12 N2 O2 | C(C[C@@H](.... |
3 | 4Q40 | - | VAL | C5 H11 N O2 | CC(C)[C@@H.... |
4 | 4Q3U | Kd = 0.36 uM | NNH | C5 H12 N4 O3 | [H]/N=C(/N.... |
5 | 4Q41 | - | LYS | C6 H15 N2 O2 | C(CC[NH3+].... |
6 | 4Q3Q | Kd = 1.3 uM | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
7 | 4Q3T | Kd = 0.33 uM | HAR | C6 H14 N4 O3 | C(C[C@@H](.... |
8 | 3SKK | - | 4U7 | C7 H15 B F2 N O5 | [B-](CCCC[.... |
9 | 3GN0 | Ki = 3.9 mM | DMO | C6 H12 F2 N2 O2 | C(CC(C(F)F.... |
10 | 1WVA | Kd = 270 nM | S2C | C5 H13 B N O5 S | [B-](CCSC[.... |
11 | 3KV2 | Kd = 47.51 nM | NNH | C5 H12 N4 O3 | [H]/N=C(/N.... |
12 | 2PHO | Kd > 0.1 mM | TSZ | C H5 N3 S | C(=S)(N)NN |
13 | 6V7D | ic50 = 22 nM | QR4 | C11 H24 B N2 O5 | [B-](CCC[C.... |
14 | 4IE1 | - | 1EC | C9 H21 B N O6 | [B-](CCCC[.... |
15 | 3MFW | Ki = 300 uM | B3U | C6 H10 N4 O2 | c1c([nH]c(.... |
16 | 3LP4 | Kd = 13100 nM | LYS | C6 H15 N2 O2 | C(CC[NH3+].... |
17 | 3GMZ | - | ORN | C5 H12 N2 O2 | C(C[C@@H](.... |
18 | 4GSZ | - | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
19 | 3SJT | - | 5AB | C7 H17 B N O5 | [B-](CCCC[.... |
20 | 2PLL | Kd = 5 nM | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
21 | 3MFV | Ki = 3000 uM | Z70 | C7 H12 N4 O2 | c1c([nH]c(.... |
22 | 4GSV | - | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
23 | 3DJ8 | - | EXY | C8 H15 N O3 | C1[C@H](O1.... |
24 | 1WVB | - | S2C | C5 H13 B N O5 S | [B-](CCSC[.... |
25 | 4HWW | ic50 = 223 nM | X7A | C13 H28 B N2 O5 | [B-](CCCC[.... |
26 | 3E6V | Kd = 147 nM | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
27 | 3THH | - | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
28 | 6V7E | ic50 = 2 nM | QRA | C12 H24 B N2 O5 | [B-](CCC[C.... |
29 | 3LP7 | Kd = 3600 nM | HAR | C6 H14 N4 O3 | C(C[C@@H](.... |
30 | 2AEB | Kd = 5 nM | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
31 | 3THJ | - | ORN | C5 H12 N2 O2 | C(C[C@@H](.... |
32 | 6V7F | ic50 = 14 nM | QRJ | C12 H26 B N2 O5 | [B-](CCC[C.... |
33 | 3F80 | Kd = 60 uM | 6HN | C6 H12 N2 O4 | C(CC[N+](=.... |
34 | 3E6K | Kd = 7000 nM | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
35 | 4HXQ | ic50 = 60 nM | X8A | C14 H30 B N2 O5 | [B-](CCCC[.... |
36 | 4GWD | - | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
37 | 6V7C | ic50 = 29 nM | QR1 | C11 H24 B N2 O5 | [B-](CCC[C.... |
38 | 4I06 | ic50 = 67 nM | X8A | C14 H30 B N2 O5 | [B-](CCCC[.... |
39 | 4IXV | ic50 = 240 nM | XA1 | C18 H29 B Cl N2 O5 | [B-](CCCC[.... |
40 | 4IE3 | ic50 = 980 nM | 1EE | C13 H28 B N2 O6 | [B-](CCCC[.... |
41 | 4IE2 | ic50 = 4500 nM | 1EC | C9 H21 B N O6 | [B-](CCCC[.... |
42 | 4HZE | ic50 = 509 nM | X7A | C13 H28 B N2 O5 | [B-](CCCC[.... |
43 | 6Q37 | ic50 = 440 nM | HE8 | C8 H18 B N2 O5 | [B-](CCC[C.... |
44 | 6Q39 | ic50 = 16 nM | HDQ | C14 H29 B N3 O5 | [B-](CCC[C.... |
45 | 4IXU | ic50 = 23 nM | 38I | C20 H30 B Cl2 N2 O5 | [B-](CCCC[.... |
46 | 4IU4 | Ki ~ 10 uM | S2C | C5 H13 B N O5 S | [B-](CCSC[.... |
47 | 4IU1 | Ki ~ 50 uM | NNH | C5 H12 N4 O3 | [H]/N=C(/N.... |
48 | 4IU5 | - | ORN | C5 H12 N2 O2 | C(C[C@@H](.... |
49 | 4IU0 | Ki = 1.3 uM | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
50 | 1T5G | - | ARG | C6 H15 N4 O2 | C(C[C@@H](.... |
51 | 1D3V | Kd = 0.11 uM | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
52 | 1HQG | - | ORN | C5 H12 N2 O2 | C(C[C@@H](.... |
53 | 1T4T | ic50 < 400 uM | DIR | C4 H10 N4 O3 | C([C@@H](C.... |
54 | 1T5F | Ki = 60 uM | DHH | C7 H15 N O4 | C(CCC(O)O).... |
55 | 1P8R | - | S2C | C5 H13 B N O5 S | [B-](CCSC[.... |
56 | 1HQ5 | Kd = 2.22 uM | S2C | C5 H13 B N O5 S | [B-](CCSC[.... |
57 | 3E9B | Ki = 4500 nM | S2C | C5 H13 B N O5 S | [B-](CCSC[.... |
58 | 5ZEE | - | HAR | C6 H14 N4 O3 | C(C[C@@H](.... |
59 | 5ZEF | - | NVA | C5 H11 N O2 | CCC[C@@H](.... |
60 | 5CEV | - | LYS | C6 H15 N2 O2 | C(CC[NH3+].... |
61 | 3CEV | - | ARG | C6 H15 N4 O2 | C(C[C@@H](.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ARG | 0.9763 |
2 | MLY | 0.9720 |
3 | DHH | 0.9709 |
4 | EXY | 0.9646 |
5 | CIR | 0.9628 |
6 | API | 0.9609 |
7 | GGB | 0.9602 |
8 | ILO | 0.9517 |
9 | MLZ | 0.9489 |
10 | PML | 0.9477 |
11 | E8U | 0.9448 |
12 | ENW | 0.9443 |
13 | 4JK | 0.9439 |
14 | WT2 | 0.9439 |
15 | M3L | 0.9439 |
16 | 9J6 | 0.9409 |
17 | OOG | 0.9409 |
18 | 4TB | 0.9399 |
19 | VUR | 0.9374 |
20 | 26P | 0.9371 |
21 | GVA | 0.9359 |
22 | S2C | 0.9358 |
23 | LPA | 0.9331 |
24 | AHL | 0.9320 |
25 | JX7 | 0.9297 |
26 | DAR | 0.9291 |
27 | IAR | 0.9291 |
28 | TYR | 0.9288 |
29 | SLZ | 0.9277 |
30 | UN1 | 0.9263 |
31 | Z70 | 0.9262 |
32 | 9YT | 0.9258 |
33 | NMM | 0.9226 |
34 | 2NP | 0.9222 |
35 | 5AB | 0.9213 |
36 | PBA | 0.9212 |
37 | 4ZD | 0.9208 |
38 | 2FM | 0.9200 |
39 | TZP | 0.9199 |
40 | OCA | 0.9192 |
41 | MF3 | 0.9189 |
42 | LYN | 0.9182 |
43 | 1PS | 0.9182 |
44 | KPV | 0.9175 |
45 | HRG | 0.9159 |
46 | FB6 | 0.9151 |
47 | 3KJ | 0.9151 |
48 | DEZ | 0.9150 |
49 | 4DI | 0.9133 |
50 | L06 | 0.9133 |
51 | DA2 | 0.9129 |
52 | SB7 | 0.9129 |
53 | F98 | 0.9118 |
54 | JFM | 0.9109 |
55 | AHN | 0.9105 |
56 | ZZU | 0.9101 |
57 | 2OR | 0.9101 |
58 | CLT | 0.9101 |
59 | NNH | 0.9097 |
60 | SB9 | 0.9096 |
61 | J9Y | 0.9089 |
62 | XOG | 0.9087 |
63 | EGV | 0.9066 |
64 | 5PV | 0.9062 |
65 | XRX | 0.9056 |
66 | 011 | 0.9036 |
67 | ENV | 0.9030 |
68 | LPB | 0.9029 |
69 | ALY | 0.9029 |
70 | DXP | 0.9020 |
71 | 0L1 | 0.9018 |
72 | JM2 | 0.9016 |
73 | TEG | 0.9008 |
74 | 5KJ | 0.9007 |
75 | OJD | 0.8990 |
76 | GRQ | 0.8980 |
77 | PMV | 0.8978 |
78 | KAP | 0.8976 |
79 | PBN | 0.8972 |
80 | 3H2 | 0.8965 |
81 | RGP | 0.8963 |
82 | DLY | 0.8950 |
83 | KPA | 0.8950 |
84 | 5LD | 0.8947 |
85 | 4TP | 0.8944 |
86 | CXP | 0.8943 |
87 | GNW | 0.8939 |
88 | RED | 0.8934 |
89 | 6C4 | 0.8932 |
90 | DIR | 0.8927 |
91 | 5TO | 0.8925 |
92 | 6FG | 0.8924 |
93 | 11C | 0.8916 |
94 | ENO | 0.8911 |
95 | I38 | 0.8905 |
96 | PRO GLY | 0.8904 |
97 | VIO | 0.8903 |
98 | LVD | 0.8901 |
99 | G3M | 0.8900 |
100 | DNN | 0.8898 |
101 | FOM | 0.8895 |
102 | FXY | 0.8892 |
103 | 7OD | 0.8891 |
104 | NWH | 0.8886 |
105 | QFJ | 0.8883 |
106 | 3YP | 0.8881 |
107 | KPC | 0.8881 |
108 | CUW | 0.8879 |
109 | 7UC | 0.8879 |
110 | DLT | 0.8878 |
111 | HL4 | 0.8873 |
112 | XRS | 0.8869 |
113 | HCI | 0.8865 |
114 | KDG | 0.8853 |
115 | HPL | 0.8852 |
116 | IVL | 0.8849 |
117 | KNA | 0.8847 |
118 | DZA | 0.8842 |
119 | 1N5 | 0.8841 |
120 | 4YZ | 0.8835 |
121 | N8C | 0.8833 |
122 | N9J | 0.8817 |
123 | MES | 0.8817 |
124 | P93 | 0.8816 |
125 | PA5 | 0.8814 |
126 | 8AC | 0.8810 |
127 | P80 | 0.8808 |
128 | Q06 | 0.8807 |
129 | O45 | 0.8807 |
130 | DKA | 0.8803 |
131 | GLY GLY GLY | 0.8799 |
132 | 1HS | 0.8795 |
133 | YOF | 0.8788 |
134 | R10 | 0.8785 |
135 | 7BC | 0.8784 |
136 | A5P | 0.8776 |
137 | JF5 | 0.8774 |
138 | 37E | 0.8766 |
139 | IJ6 | 0.8764 |
140 | LUQ | 0.8763 |
141 | DA3 | 0.8763 |
142 | SPD | 0.8758 |
143 | DXG | 0.8757 |
144 | ODI | 0.8753 |
145 | 7C3 | 0.8745 |
146 | N6C | 0.8736 |
147 | SNR | 0.8733 |
148 | 7XA | 0.8720 |
149 | OC9 | 0.8716 |
150 | 8SZ | 0.8711 |
151 | 5DS | 0.8706 |
152 | DED | 0.8705 |
153 | KQY | 0.8701 |
154 | HPN | 0.8698 |
155 | HGA | 0.8692 |
156 | NMH | 0.8684 |
157 | AE3 | 0.8681 |
158 | 58X | 0.8673 |
159 | PO6 | 0.8672 |
160 | D10 | 0.8672 |
161 | M5P | 0.8669 |
162 | MHN | 0.8668 |
163 | LX1 | 0.8655 |
164 | OYA | 0.8642 |
165 | SSB | 0.8632 |
166 | 5SP | 0.8628 |
167 | 0A1 | 0.8624 |
168 | 3OL | 0.8616 |
169 | 3OM | 0.8616 |
170 | 19N | 0.8612 |
171 | DDW | 0.8590 |
172 | DER | 0.8586 |
173 | D53 | 0.8562 |
174 | 9C2 | 0.8558 |
175 | LGT | 0.8516 |
This union binding pocket(no: 1) in the query (biounit: 6v7e.bio2) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6v7e.bio2) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 6v7e.bio2) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 6v7e.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1WOG | 16D | 39.3443 |
2 | 1WOG | 16D | 39.3443 |