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- PDB : .ZIP | .CSV
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 41 families. | |||||
1 | 1L2S | Ki = 26 uM | STC | C11 H8 Cl N O4 S2 | c1cc(ccc1N.... |
2 | 4OLD | - | 2UZ | C7 H10 N2 O4 S | C1C=C(NC(S.... |
3 | 4JXW | Ki = 19 uM | 1MW | C15 H15 N O6 S2 | c1cc(ccc1C.... |
4 | 4KZ8 | Ki = 1.6 mM | 1U6 | C8 H12 N2 O2 S | CCN1C(=O)C.... |
5 | 2HDU | Ki = 5 mM | F12 | C7 H7 N O3 S | CC(=O)Nc1c.... |
6 | 1KVL | - | KCP | C14 H16 N2 O5 S2 | CC1=C(N[C@.... |
7 | 1PI5 | Ki = 17 nM | SM2 | C14 H14 B N O5 S | B([C@H](c1.... |
8 | 2R9W | Ki = 8 uM | 23C | C22 H15 N O6 | c1ccc2c(c1.... |
9 | 2PU2 | Ki = 37 uM | DK2 | C18 H13 N O7 | c1cc(ccc1C.... |
10 | 1XGJ | Ki = 1 uM | HTC | C12 H9 N O7 S2 | c1cc(c(cc1.... |
11 | 1PI4 | Ki = 37 nM | SM3 | C13 H14 B N O3 S | B([C@H](c1.... |
12 | 1XGI | Ki = 14 uM | NST | C11 H8 N2 O6 S2 | c1cc(cc(c1.... |
13 | 3GV9 | Ki = 7.5 mM | GV9 | C7 H7 N O3 S | CC(=O)Nc1c.... |
14 | 1O07 | - | MXG | C24 H36 N6 O9 S | C[C@@H](C(.... |
15 | 3GTC | Ki = 4.5 mM | GTC | C9 H13 N3 O2 S | C1CC[C@H](.... |
16 | 4KZ3 | Ki = 1.7 mM | 1U1 | C5 H4 Cl N O4 S2 | c1c(c(sc1C.... |
17 | 4KZ7 | Ki = 3.2 mM | 1U5 | C10 H14 O4 | C[C@]12CC[.... |
18 | 2HDR | Ki = 19 mM | 4A3 | C7 H7 N O3 | c1cc(c(cc1.... |
19 | 1LL9 | - | AXL | C16 H21 N3 O5 S | CC1([C@@H].... |
20 | 4JXS | Ki = 18 uM | 18U | C13 H11 N O6 S2 | c1cc(ccc1C.... |
21 | 2R9X | Ki = 14 uM | WH6 | C23 H17 N O6 | c1ccc2c(c1.... |
22 | 4KZ4 | Ki = 0.07 mM | 4A1 | C10 H13 N O4 S | CCCS(=O)(=.... |
23 | 6T5Y | ic50 = 7.6 uM | C8V | C13 H23 N5 O7 S | C1C[C@H](C.... |
24 | 4KZB | Ki = 1.3 mM | NZ3 | C10 H13 N O4 S | C[C@H](C(=.... |
25 | 1L0G | - | GLC FRU | n/a | n/a |
26 | 1MY8 | Ki = 0.035 uM | SM3 | C13 H14 B N O3 S | B([C@H](c1.... |
27 | 2HDS | Ki = 10 mM | 4MB | C8 H9 N O4 S | CS(=O)(=O).... |
28 | 4OKP | - | 2V0 | C8 H12 N2 O4 S | CC1=C(N[C@.... |
29 | 3GRJ | Ki = 1 mM | G14 | C10 H8 N2 O2 | c1ccc(cc1).... |
30 | 4KZ5 | Ki < 10 mM | 1U3 | C13 H11 Cl N2 O4 | Cc1c(c(no1.... |
31 | 3GVB | Ki = 2.6 mM | 3GV | C11 H11 N O4 | c1ccc(c(c1.... |
32 | 4KZ9 | - | 1U7 | C15 H21 N O | c1ccc(cc1).... |
33 | 3GR2 | Ki = 3 mM | GF4 | C7 H10 N6 O | CCC1=C(NN(.... |
34 | 3GSG | Ki = 2 mM | GF1 | C12 H15 N O4 | C[C@@H](C(.... |
35 | 6TPM | ic50 = 6.61 uM | MK7 | C12 H22 N4 O6 S | C1C[C@H](N.... |
36 | 4JXV | Ki = 31 uM | 1MU | C14 H13 N O6 S2 | c1cc(ccc1C.... |
37 | 2HDQ | Ki = 40 mM | C21 | C5 H4 O2 S | c1cc(sc1)C.... |
38 | 4KZ6 | Ki = 0.8 mM | ZB6 | C10 H17 N O3 S | C[C@@H]1CC.... |
39 | 3GQZ | Ki = 6.7 mM | GF7 | C13 H13 N O4 | CC(=O)c1cc.... |
40 | 5JOC | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
41 | 4KZA | Ki = 0.2 mM | NZ9 | C8 H9 N O4 S2 | c1csc(c1S(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 23 families. | |||||
1 | 1L2S | Ki = 26 uM | STC | C11 H8 Cl N O4 S2 | c1cc(ccc1N.... |
2 | 4OLD | - | 2UZ | C7 H10 N2 O4 S | C1C=C(NC(S.... |
3 | 4JXW | Ki = 19 uM | 1MW | C15 H15 N O6 S2 | c1cc(ccc1C.... |
4 | 4KZ8 | Ki = 1.6 mM | 1U6 | C8 H12 N2 O2 S | CCN1C(=O)C.... |
5 | 2HDU | Ki = 5 mM | F12 | C7 H7 N O3 S | CC(=O)Nc1c.... |
6 | 1KVL | - | KCP | C14 H16 N2 O5 S2 | CC1=C(N[C@.... |
7 | 1PI5 | Ki = 17 nM | SM2 | C14 H14 B N O5 S | B([C@H](c1.... |
8 | 2R9W | Ki = 8 uM | 23C | C22 H15 N O6 | c1ccc2c(c1.... |
9 | 2PU2 | Ki = 37 uM | DK2 | C18 H13 N O7 | c1cc(ccc1C.... |
10 | 1XGJ | Ki = 1 uM | HTC | C12 H9 N O7 S2 | c1cc(c(cc1.... |
11 | 1PI4 | Ki = 37 nM | SM3 | C13 H14 B N O3 S | B([C@H](c1.... |
12 | 1XGI | Ki = 14 uM | NST | C11 H8 N2 O6 S2 | c1cc(cc(c1.... |
13 | 3GV9 | Ki = 7.5 mM | GV9 | C7 H7 N O3 S | CC(=O)Nc1c.... |
14 | 1O07 | - | MXG | C24 H36 N6 O9 S | C[C@@H](C(.... |
15 | 3GTC | Ki = 4.5 mM | GTC | C9 H13 N3 O2 S | C1CC[C@H](.... |
16 | 4KZ3 | Ki = 1.7 mM | 1U1 | C5 H4 Cl N O4 S2 | c1c(c(sc1C.... |
17 | 4KZ7 | Ki = 3.2 mM | 1U5 | C10 H14 O4 | C[C@]12CC[.... |
18 | 2HDR | Ki = 19 mM | 4A3 | C7 H7 N O3 | c1cc(c(cc1.... |
19 | 1LL9 | - | AXL | C16 H21 N3 O5 S | CC1([C@@H].... |
20 | 4JXS | Ki = 18 uM | 18U | C13 H11 N O6 S2 | c1cc(ccc1C.... |
21 | 2R9X | Ki = 14 uM | WH6 | C23 H17 N O6 | c1ccc2c(c1.... |
22 | 4KZ4 | Ki = 0.07 mM | 4A1 | C10 H13 N O4 S | CCCS(=O)(=.... |
23 | 6T5Y | ic50 = 7.6 uM | C8V | C13 H23 N5 O7 S | C1C[C@H](C.... |
24 | 4KZB | Ki = 1.3 mM | NZ3 | C10 H13 N O4 S | C[C@H](C(=.... |
25 | 1L0G | - | GLC FRU | n/a | n/a |
26 | 1MY8 | Ki = 0.035 uM | SM3 | C13 H14 B N O3 S | B([C@H](c1.... |
27 | 2HDS | Ki = 10 mM | 4MB | C8 H9 N O4 S | CS(=O)(=O).... |
28 | 4OKP | - | 2V0 | C8 H12 N2 O4 S | CC1=C(N[C@.... |
29 | 3GRJ | Ki = 1 mM | G14 | C10 H8 N2 O2 | c1ccc(cc1).... |
30 | 4KZ5 | Ki < 10 mM | 1U3 | C13 H11 Cl N2 O4 | Cc1c(c(no1.... |
31 | 3GVB | Ki = 2.6 mM | 3GV | C11 H11 N O4 | c1ccc(c(c1.... |
32 | 4KZ9 | - | 1U7 | C15 H21 N O | c1ccc(cc1).... |
33 | 3GR2 | Ki = 3 mM | GF4 | C7 H10 N6 O | CCC1=C(NN(.... |
34 | 3GSG | Ki = 2 mM | GF1 | C12 H15 N O4 | C[C@@H](C(.... |
35 | 6TPM | ic50 = 6.61 uM | MK7 | C12 H22 N4 O6 S | C1C[C@H](N.... |
36 | 4JXV | Ki = 31 uM | 1MU | C14 H13 N O6 S2 | c1cc(ccc1C.... |
37 | 2HDQ | Ki = 40 mM | C21 | C5 H4 O2 S | c1cc(sc1)C.... |
38 | 4KZ6 | Ki = 0.8 mM | ZB6 | C10 H17 N O3 S | C[C@@H]1CC.... |
39 | 3GQZ | Ki = 6.7 mM | GF7 | C13 H13 N O4 | CC(=O)c1cc.... |
40 | 5JOC | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
41 | 4KZA | Ki = 0.2 mM | NZ9 | C8 H9 N O4 S2 | c1csc(c1S(.... |
42 | 6PWM | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
43 | 6PWL | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
44 | 6KA5 | - | 1S7 | C15 H16 N2 O5 S2 | CO[C@@](C=.... |
45 | 5K1F | Ki = 16.2 uM | IMP | C10 H13 N4 O8 P | c1nc2c(n1[.... |
46 | 5K1D | Ki = 20.8 uM | 5GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 1U7 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | FNA | 0.9244 |
2 | 3AK | 0.9194 |
3 | WL3 | 0.9164 |
4 | TRP | 0.9113 |
5 | 4WF | 0.9110 |
6 | BIE | 0.9095 |
7 | CUT | 0.9093 |
8 | AVA | 0.9087 |
9 | 96Z | 0.9068 |
10 | IM4 | 0.9059 |
11 | 3B4 | 0.9054 |
12 | 2LX | 0.9053 |
13 | BC3 | 0.9006 |
14 | M3Q | 0.9002 |
15 | 8GK | 0.8997 |
16 | X6P | 0.8984 |
17 | EXG | 0.8980 |
18 | BPY | 0.8977 |
19 | 22L | 0.8967 |
20 | SLY | 0.8966 |
21 | CMU | 0.8949 |
22 | DTR | 0.8947 |
23 | 5E4 | 0.8924 |
24 | NLA | 0.8920 |
25 | 3WJ | 0.8904 |
26 | 1OH | 0.8900 |
27 | MQB | 0.8897 |
28 | IOS | 0.8895 |
29 | 78U | 0.8894 |
30 | TQU | 0.8890 |
31 | AKD | 0.8885 |
32 | HA6 | 0.8878 |
33 | QZ8 | 0.8877 |
34 | F0C | 0.8875 |
35 | 6J9 | 0.8873 |
36 | BZQ | 0.8867 |
37 | 5OF | 0.8863 |
38 | SBI | 0.8859 |
39 | B5A | 0.8857 |
40 | A7M | 0.8856 |
41 | OX2 | 0.8845 |
42 | BB4 | 0.8840 |
43 | 2OH | 0.8840 |
44 | L5D | 0.8831 |
45 | S3C | 0.8831 |
46 | AX8 | 0.8830 |
47 | MYT | 0.8826 |
48 | TCL | 0.8826 |
49 | 9GP | 0.8819 |
50 | OSB | 0.8809 |
51 | QTS | 0.8808 |
52 | BPS | 0.8808 |
53 | A6H | 0.8807 |
54 | AOJ | 0.8806 |
55 | IBC | 0.8803 |
56 | TH4 | 0.8803 |
57 | QMS | 0.8802 |
58 | CTN | 0.8798 |
59 | B4O | 0.8797 |
60 | ZON | 0.8797 |
61 | S0G | 0.8793 |
62 | IAC | 0.8789 |
63 | 96R | 0.8788 |
64 | OBP | 0.8785 |
65 | CR1 | 0.8769 |
66 | MEX | 0.8760 |
67 | G6P | 0.8750 |
68 | KED | 0.8748 |
69 | CPW | 0.8748 |
70 | 1FF | 0.8747 |
71 | KYN | 0.8746 |
72 | VJP | 0.8743 |
73 | 29Q | 0.8742 |
74 | EYM | 0.8733 |
75 | EYA | 0.8733 |
76 | 2N0 | 0.8732 |
77 | CGW | 0.8732 |
78 | AUV | 0.8731 |
79 | N1Y | 0.8730 |
80 | CC5 | 0.8728 |
81 | URI | 0.8728 |
82 | T6Z | 0.8725 |
83 | Q5M | 0.8724 |
84 | 6DP | 0.8723 |
85 | CLU | 0.8714 |
86 | 4K2 | 0.8712 |
87 | 0OL | 0.8709 |
88 | PLP | 0.8707 |
89 | IZN | 0.8706 |
90 | 6HX | 0.8703 |
91 | 11G | 0.8694 |
92 | IBM | 0.8686 |
93 | H3W | 0.8684 |
94 | S7G | 0.8683 |
95 | NBG | 0.8682 |
96 | A9O | 0.8681 |
97 | 2UD | 0.8681 |
98 | 4EU | 0.8674 |
99 | JAK | 0.8673 |
100 | H48 | 0.8673 |
101 | PIR | 0.8672 |
102 | IWH | 0.8668 |
103 | ISC | 0.8664 |
104 | CUH | 0.8664 |
105 | J47 | 0.8661 |
106 | LLG | 0.8659 |
107 | PVK | 0.8656 |
108 | BY5 | 0.8656 |
109 | RGG | 0.8652 |
110 | PVQ | 0.8650 |
111 | OUB | 0.8650 |
112 | 8OE | 0.8647 |
113 | BP3 | 0.8647 |
114 | 0OY | 0.8645 |
115 | C0W | 0.8640 |
116 | TCC | 0.8636 |
117 | 8OB | 0.8630 |
118 | TI7 | 0.8630 |
119 | 6J3 | 0.8627 |
120 | 6NZ | 0.8625 |
121 | SFY | 0.8623 |
122 | L21 | 0.8621 |
123 | 2TU | 0.8617 |
124 | LP8 | 0.8613 |
125 | DKZ | 0.8612 |
126 | 977 | 0.8606 |
127 | CRA | 0.8606 |
128 | KFN | 0.8601 |
129 | 7ZL | 0.8598 |
130 | C93 | 0.8589 |
131 | RUG | 0.8585 |
132 | 2AN | 0.8584 |
133 | DNB | 0.8563 |
134 | ONZ | 0.8554 |
135 | 7ZC | 0.8548 |
136 | NWL | 0.8542 |
137 | 4E5 | 0.8539 |
138 | 3IB | 0.8527 |
This union binding pocket(no: 1) in the query (biounit: 1pi5.bio2) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1pi5.bio2) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1pi5.bio1) has 46 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |