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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 1 families. | |||||
1 | 1E81 | - | M91 | C34 H49 N5 O6 S | CSC[C@@H](.... |
2 | 4ZEA | - | IMI | C10 H17 N3 O2 S | C1[C@H]2[C.... |
3 | 3ER3 | Ki = 81 nM | 0EL | C51 H78 N8 O9 | NULL |
4 | 4Y4D | - | CFF | C8 H10 N4 O2 | Cn1cnc2c1C.... |
5 | 5LWT | - | 7B3 | C10 H13 N3 O | Cc1c2cnnc(.... |
6 | 1EPM | - | THR PHE GLN ALA PSA LEU ARG GLU | n/a | n/a |
7 | 1EED | Ki = 16.2 uM | 0EO | C34 H55 N3 O8 | CC(C)C[C@@.... |
8 | 3PMY | - | 41L | C15 H13 N3 O | c1ccc(cc1).... |
9 | 1OEX | - | BOC HIS PRO PHE ALA LOV ILE HIS | n/a | n/a |
10 | 4ER4 | Ki = 160 nM | PRO HIS PRO PHE HIS LAV ILE HIS LYS | n/a | n/a |
11 | 4LBT | Ki = 6 uM | 1TZ | C21 H24 N4 O | Cc1cc(c(c(.... |
12 | 3PWW | - | ROC | C38 H50 N6 O5 | CC(C)(C)NC.... |
13 | 4Y38 | Kd = 4 mM | 0A9 | C10 H13 N O2 | COC(=O)[C@.... |
14 | 2JJJ | - | 0QS | C36 H56 F2 N7 O8 S | CC(C)(C)S(.... |
15 | 1GVV | - | 0GM | C51 H61 N5 O6 | CC(C)C[C@H.... |
16 | 3PMU | - | F7L | C14 H20 F N O2 | c1ccc(c(c1.... |
17 | 5OJE | Ki = 6.1 uM | VSK | C22 H27 N3 O | Cc1cc(c(c(.... |
18 | 1GVT | - | 2ZS | C31 H48 N4 O7 S | CC(C)OC(=O.... |
19 | 1EPR | - | 0QS | C36 H56 F2 N7 O8 S | CC(C)(C)S(.... |
20 | 5MB5 | - | 46P | C8 H10 N4 S | Cc1c(sc(n1.... |
21 | 5MB7 | - | 4AV | C8 H9 Cl N2 O2 | CNCc1cc(cc.... |
22 | 4Y4G | - | GGB | C5 H12 N4 O3 | [H]/N=C(N).... |
23 | 3ER5 | Ki = 1 nM | PRO HIS PRO PHE HIS STA VAL ILE HIS LYS | n/a | n/a |
24 | 3URL | - | HIS SER LEU PHE HIS PUK THR PRO | n/a | n/a |
25 | 3PCZ | - | BAM | C7 H9 N2 | c1ccc(cc1).... |
26 | 2V00 | Kd = 0.22 mM | V15 | C12 H13 N3 O | c1ccc(cc1).... |
27 | 5LWR | - | 7B2 | C27 H29 Cl N9 O | Cc1c2cnn3c.... |
28 | 3PLL | - | F06 | C8 H9 Cl N2 S | [H]/N=C(N).... |
29 | 4ER2 | Ki = 0.5 nM | IVA VAL VAL STA ALA STA | n/a | n/a |
30 | 4LP9 | ic50 = 0.62 uM | SER LEU PHE HIS 22G THR PRO | n/a | n/a |
31 | 3PRS | - | RIT | C37 H48 N6 O5 S2 | CC(C)c1nc(.... |
32 | 1ENT | Ki = 110 nM | 0EM | C32 H52 N6 O7 P | NULL |
33 | 1E80 | - | 0GQ | C41 H64 N10 O6 | CC[C@H](C).... |
34 | 5LWS | - | 7B2 | C27 H29 Cl N9 O | Cc1c2cnn3c.... |
35 | 3PBD | - | F05 | C8 H8 N2 | c1ccc2c(c1.... |
36 | 1OD1 | - | 0QS | C36 H56 F2 N7 O8 S | CC(C)(C)S(.... |
37 | 3WZ6 | Ki = 1.1 uM | IXZ | C27 H25 N3 O2 S | c1ccc(cc1).... |
38 | 5ER1 | Ki = 960 nM | 0HT | C28 H48 N4 O5 | CC[C@H](C).... |
39 | 1OEW | - | SER THR | n/a | n/a |
40 | 1EPQ | Ki = 6.5 nM | 0QF | C31 H52 N4 O7 S2 | CCS[C@@H](.... |
41 | 5MB3 | - | 5GL | C13 H20 N2 O S | CCCN1C2=C(.... |
42 | 2JJI | - | 0QS | C36 H56 F2 N7 O8 S | CC(C)(C)S(.... |
43 | 3PCW | - | FBF | C8 H7 F3 N2 | [H]/N=C(/c.... |
44 | 3PGI | - | F41 | C14 H18 N2 O3 | c1cc2c(cc1.... |
45 | 4Y3J | Kd = 6.8 mM | HIC | C7 H11 N3 O2 | Cn1cc(nc1).... |
46 | 1GVW | Ki = 110 nM | 0EM | C32 H52 N6 O7 P | NULL |
47 | 5ER2 | Ki = 0.27 uM | 0EK | C50 H77 N9 O9 | NULL |
48 | 1EPP | Ki = 69 nM | 1Z1 | C32 H57 N7 O6 S2 | CC[C@H](C).... |
49 | 2ER7 | ic50 = 0.7 nM | BOC HIS PRO PHE HIS LOV ILE HIS | n/a | n/a |
50 | 4KUP | Ki = 6 uM | 1TZ | C21 H24 N4 O | Cc1cc(c(c(.... |
51 | 3WZ7 | Ki = 1.8 uM | IXY | C28 H30 N4 O2 S | c1ccc(cc1).... |
52 | 1EPO | Ki = 11 nM | 2Z3 | C32 H49 F2 N5 O7 | NULL |
53 | 1ER8 | - | DHI PRO PHE HIS LEU LEU VAL TYR | n/a | n/a |
54 | 3WZ8 | Ki = 1.5 uM | IXV | C27 H25 N3 O2 S | c1ccc(cc1).... |
55 | 3PI0 | - | F91 | C14 H14 N2 O2 | c1cc2c(cc1.... |
56 | 1GVU | Ki = 1 nM | PRO HIS PRO PHE HIS STA VAL ILE HIS LYS | n/a | n/a |
57 | 1EPL | - | PRO LEU GLU PSA ARG LEU | n/a | n/a |
58 | 4Y3Y | Kd = 4.5 mM | DCL | C6 H15 N O | CC(C)C[C@@.... |
59 | 1E5O | - | 3AI | C23 H38 N4 O4 S | CC[C@H](C).... |
60 | 3PLD | - | F90 | C8 H9 Cl N2 S | [H]/N=C(N).... |
61 | 5MB0 | Kd = 1.4 mM | F91 | C14 H14 N2 O2 | c1cc2c(cc1.... |
62 | 2ER6 | Ki = 60 nM | PRO THR GLU PUK ARG GLU | n/a | n/a |
63 | 3URI | - | HIS PRO HIS LEU SER 13E ALA HIS | n/a | n/a |
64 | 4LHH | Ki = 6 uM | 1TZ | C21 H24 N4 O | Cc1cc(c(c(.... |
65 | 4Y48 | - | GLY PRO | n/a | n/a |
66 | 1E82 | - | M90 | C34 H49 N5 O6 S | CSC[C@@H](.... |
67 | 1EPN | - | 2ZS | C31 H48 N4 O7 S | CC(C)OC(=O.... |
68 | 2ER9 | Ki = 40 nM | BOC HIS PRO PHE HIS STA LEU PHE | n/a | n/a |
69 | 4Y4J | Kd = 3.4 mM | LNR | C8 H11 N O3 | c1cc(c(cc1.... |
70 | 1GVX | Ki = 60 nM | PRO THR GLU PUK ARG GLU | n/a | n/a |
71 | 3PM4 | - | F5N | C15 H13 N3 O | c1ccc(cc1).... |
72 | 3PB5 | - | F63 | C11 H12 N2 O2 | CNCc1ccc(o.... |
73 | 4ZE6 | Kd = 3.3 mM | 011 | C7 H15 N O2 | C(CCCN)CCC.... |
74 | 3PBZ | - | F02 | C11 H17 N3 O | CCN(CC)c1c.... |
75 | 4ER1 | Ki = 0.24 uM | 0ZP | C51 H68 N5 O4 | CC[C@H](C).... |
76 | 5RBV | - | RQD | C10 H12 F N O2 | COC(=O)[C@.... |
77 | 5RCG | - | REG | C11 H20 N2 O2 | C1CCC(C1)N.... |
78 | 5R1U | - | T9G | C9 H13 N O | CC[C@H](c1.... |
79 | 5RC3 | - | RAY | C11 H14 F N O3 | COCCOCC(=O.... |
80 | 5R21 | - | R9Y | C11 H16 N2 | CN1CCCc2c1.... |
81 | 5RCE | - | RE4 | C11 H13 N5 | Cc1cc(nc(n.... |
82 | 5RBS | - | R8V | C9 H9 N O2 | CN1[C@H](c.... |
83 | 5RBU | - | R97 | C10 H10 N2 S | Cc1csc(n1).... |
84 | 5R2C | - | RE4 | C11 H13 N5 | Cc1cc(nc(n.... |
85 | 5R20 | - | R9V | C14 H19 N O | c1ccc(cc1).... |
86 | 5RCC | - | RDV | C12 H22 N2 O | C1CCC(C1)C.... |
87 | 5RC4 | - | RB7 | C11 H16 Br N O2 S | Cc1cc(ccc1.... |
88 | 5R25 | - | RBJ | C8 H11 N O | CNCc1ccc(c.... |
89 | 5HCT | Ki = 0.0254 uM | 61P | C30 H30 N8 O2 | c1ccc2c(c1.... |
90 | 5R1W | - | R8Y | C10 H13 N O3 S | CCN(CCC(=O.... |
91 | 5R23 | - | RAY | C11 H14 F N O3 | COCCOCC(=O.... |
92 | 5RC5 | - | RBG | C10 H20 N2 O | CC(C)(C)NC.... |
93 | 5RCB | - | RDM | C12 H15 N O3 | CC(=O)N[C@.... |
94 | 5RC6 | - | RBJ | C8 H11 N O | CNCc1ccc(c.... |
95 | 5RBQ | - | R8P | C8 H9 N O3 | C[C@@H](c1.... |
96 | 5R1V | - | R8S | C5 H8 N4 O | COc1ccnc(n.... |
97 | 5R1Z | - | R9M | C6 H7 N O2 S | c1csc(n1)C.... |
98 | 5R2B | - | RDY | C12 H15 N O4 | C[C@@H](C(.... |
99 | 5RC7 | - | AES | C8 H10 F N O2 S | c1cc(ccc1C.... |
100 | 5RBO | - | R8A | C6 H8 N2 O | c1cc(c(nc1.... |
101 | 5R26 | - | RCV | C10 H13 N O3 | COC(=O)COc.... |
102 | 5R1Y | - | R9J | C11 H15 N O2 | Cc1ccc(cc1.... |
103 | 5RBZ | - | R9S | C9 H11 N O | Cc1ccccc1C.... |
104 | 5R1X | - | RQD | C10 H12 F N O2 | COC(=O)[C@.... |
105 | 5RC8 | - | RCV | C10 H13 N O3 | COC(=O)COc.... |
106 | 5RC9 | - | RD4 | C9 H12 N2 O | [H]/N=C(c1.... |
107 | 5RBY | - | R9M | C6 H7 N O2 S | c1csc(n1)C.... |
108 | 5RCF | - | RE7 | C13 H16 F N3 | C[C@H](c1c.... |
109 | 5R24 | - | RB7 | C11 H16 Br N O2 S | Cc1cc(ccc1.... |
110 | 5R28 | - | RDJ | C9 H15 N3 O2 S | CCNC(=O)CS.... |
111 | 5RBT | - | RA7 | C8 H12 N2 O2 S | c1c(sc(n1).... |
112 | 5RCD | - | RDY | C12 H15 N O4 | C[C@@H](C(.... |
113 | 5RBR | - | R8S | C5 H8 N4 O | COc1ccnc(n.... |
114 | 5R2D | - | REG | C11 H20 N2 O2 | C1CCC(C1)N.... |
115 | 5RC0 | - | R9V | C14 H19 N O | c1ccc(cc1).... |
116 | 5R29 | - | RDM | C12 H15 N O3 | CC(=O)N[C@.... |
117 | 5R1T | - | R8A | C6 H8 N2 O | c1cc(c(nc1.... |
118 | 5R2A | - | RDV | C12 H22 N2 O | C1CCC(C1)C.... |
119 | 5R27 | - | RD4 | C9 H12 N2 O | [H]/N=C(c1.... |
120 | 5RBX | - | R9J | C11 H15 N O2 | Cc1ccc(cc1.... |
121 | 5RC1 | - | R9Y | C11 H16 N2 | CN1CCCc2c1.... |
122 | 5RCA | - | RDJ | C9 H15 N3 O2 S | CCNC(=O)CS.... |
123 | 5R22 | - | RA7 | C8 H12 N2 O2 S | c1c(sc(n1).... |
124 | 5RC2 | - | R8Y | C10 H13 N O3 S | CCN(CCC(=O.... |
125 | 5RBW | - | R9G | C12 H15 N O2 | COc1cccc(c.... |
126 | 5RBP | - | SYG | C9 H13 N O | CC[C@@H](c.... |
127 | 1PPM | Ki = 1600 nM | 0P1 | C29 H40 N3 O9 P | C[C@@H](C(.... |
128 | 2WED | Ki = 0.8 uM | PP6 | C29 H32 N2 O7 P | CC(C)[C@H].... |
129 | 1APU | Ki = 1.6 nM | IVA VAL VAL 32L | n/a | n/a |
130 | 2WEC | Ki = 110 uM | PP5 | C28 H32 N2 O7 P | CC(C)[C@@H.... |
131 | 1APW | Ki = 10 nM | IVA VAL VAL DFI NME | n/a | n/a |
132 | 1PPL | Ki = 2.8 nM | 1Z7 | C30 H50 N3 O8 P | CC(C)C[C@H.... |
133 | 2WEB | Ki = 7.6 uM | PP4 | C28 H32 N2 O7 P | CC(C)[C@@H.... |
134 | 2WEA | - | PP6 | C29 H32 N2 O7 P | CC(C)[C@H].... |
135 | 1BXO | Ki = 0.1 nM | PP7 | C30 H47 N4 O9 P | CC(C)C[C@@.... |
136 | 1APT | - | IVA VAL VAL LTA | n/a | n/a |
137 | 1PPK | Ki = 22 nM | IVV | C24 H46 N3 O7 P | CCOC(=O)C[.... |
138 | 1BXQ | Ki = 42 nM | PP8 | C29 H47 N4 O9 P | CC(C)C[C@H.... |
139 | 1APV | Ki = 1 nM | IVA VAL VAL DFO NME | n/a | n/a |
140 | 1IZE | - | IVA VAL VAL STA ALA STA | n/a | n/a |
141 | 3EMY | - | IVA VAL VAL STA ALA STA | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1E81 | - | M91 | C34 H49 N5 O6 S | CSC[C@@H](.... |
2 | 4ZEA | - | IMI | C10 H17 N3 O2 S | C1[C@H]2[C.... |
3 | 3ER3 | Ki = 81 nM | 0EL | C51 H78 N8 O9 | NULL |
4 | 4Y4D | - | CFF | C8 H10 N4 O2 | Cn1cnc2c1C.... |
5 | 5LWT | - | 7B3 | C10 H13 N3 O | Cc1c2cnnc(.... |
6 | 1EPM | - | THR PHE GLN ALA PSA LEU ARG GLU | n/a | n/a |
7 | 1EED | Ki = 16.2 uM | 0EO | C34 H55 N3 O8 | CC(C)C[C@@.... |
8 | 3PMY | - | 41L | C15 H13 N3 O | c1ccc(cc1).... |
9 | 1OEX | - | BOC HIS PRO PHE ALA LOV ILE HIS | n/a | n/a |
10 | 4ER4 | Ki = 160 nM | PRO HIS PRO PHE HIS LAV ILE HIS LYS | n/a | n/a |
11 | 4LBT | Ki = 6 uM | 1TZ | C21 H24 N4 O | Cc1cc(c(c(.... |
12 | 3PWW | - | ROC | C38 H50 N6 O5 | CC(C)(C)NC.... |
13 | 4Y38 | Kd = 4 mM | 0A9 | C10 H13 N O2 | COC(=O)[C@.... |
14 | 2JJJ | - | 0QS | C36 H56 F2 N7 O8 S | CC(C)(C)S(.... |
15 | 1GVV | - | 0GM | C51 H61 N5 O6 | CC(C)C[C@H.... |
16 | 3PMU | - | F7L | C14 H20 F N O2 | c1ccc(c(c1.... |
17 | 5OJE | Ki = 6.1 uM | VSK | C22 H27 N3 O | Cc1cc(c(c(.... |
18 | 1GVT | - | 2ZS | C31 H48 N4 O7 S | CC(C)OC(=O.... |
19 | 1EPR | - | 0QS | C36 H56 F2 N7 O8 S | CC(C)(C)S(.... |
20 | 5MB5 | - | 46P | C8 H10 N4 S | Cc1c(sc(n1.... |
21 | 5MB7 | - | 4AV | C8 H9 Cl N2 O2 | CNCc1cc(cc.... |
22 | 4Y4G | - | GGB | C5 H12 N4 O3 | [H]/N=C(N).... |
23 | 3ER5 | Ki = 1 nM | PRO HIS PRO PHE HIS STA VAL ILE HIS LYS | n/a | n/a |
24 | 3URL | - | HIS SER LEU PHE HIS PUK THR PRO | n/a | n/a |
25 | 3PCZ | - | BAM | C7 H9 N2 | c1ccc(cc1).... |
26 | 2V00 | Kd = 0.22 mM | V15 | C12 H13 N3 O | c1ccc(cc1).... |
27 | 5LWR | - | 7B2 | C27 H29 Cl N9 O | Cc1c2cnn3c.... |
28 | 3PLL | - | F06 | C8 H9 Cl N2 S | [H]/N=C(N).... |
29 | 4ER2 | Ki = 0.5 nM | IVA VAL VAL STA ALA STA | n/a | n/a |
30 | 4LP9 | ic50 = 0.62 uM | SER LEU PHE HIS 22G THR PRO | n/a | n/a |
31 | 3PRS | - | RIT | C37 H48 N6 O5 S2 | CC(C)c1nc(.... |
32 | 1ENT | Ki = 110 nM | 0EM | C32 H52 N6 O7 P | NULL |
33 | 1E80 | - | 0GQ | C41 H64 N10 O6 | CC[C@H](C).... |
34 | 5LWS | - | 7B2 | C27 H29 Cl N9 O | Cc1c2cnn3c.... |
35 | 3PBD | - | F05 | C8 H8 N2 | c1ccc2c(c1.... |
36 | 1OD1 | - | 0QS | C36 H56 F2 N7 O8 S | CC(C)(C)S(.... |
37 | 3WZ6 | Ki = 1.1 uM | IXZ | C27 H25 N3 O2 S | c1ccc(cc1).... |
38 | 5ER1 | Ki = 960 nM | 0HT | C28 H48 N4 O5 | CC[C@H](C).... |
39 | 1OEW | - | SER THR | n/a | n/a |
40 | 1EPQ | Ki = 6.5 nM | 0QF | C31 H52 N4 O7 S2 | CCS[C@@H](.... |
41 | 5MB3 | - | 5GL | C13 H20 N2 O S | CCCN1C2=C(.... |
42 | 2JJI | - | 0QS | C36 H56 F2 N7 O8 S | CC(C)(C)S(.... |
43 | 3PCW | - | FBF | C8 H7 F3 N2 | [H]/N=C(/c.... |
44 | 3PGI | - | F41 | C14 H18 N2 O3 | c1cc2c(cc1.... |
45 | 4Y3J | Kd = 6.8 mM | HIC | C7 H11 N3 O2 | Cn1cc(nc1).... |
46 | 1GVW | Ki = 110 nM | 0EM | C32 H52 N6 O7 P | NULL |
47 | 5ER2 | Ki = 0.27 uM | 0EK | C50 H77 N9 O9 | NULL |
48 | 1EPP | Ki = 69 nM | 1Z1 | C32 H57 N7 O6 S2 | CC[C@H](C).... |
49 | 2ER7 | ic50 = 0.7 nM | BOC HIS PRO PHE HIS LOV ILE HIS | n/a | n/a |
50 | 4KUP | Ki = 6 uM | 1TZ | C21 H24 N4 O | Cc1cc(c(c(.... |
51 | 3WZ7 | Ki = 1.8 uM | IXY | C28 H30 N4 O2 S | c1ccc(cc1).... |
52 | 1EPO | Ki = 11 nM | 2Z3 | C32 H49 F2 N5 O7 | NULL |
53 | 1ER8 | - | DHI PRO PHE HIS LEU LEU VAL TYR | n/a | n/a |
54 | 3WZ8 | Ki = 1.5 uM | IXV | C27 H25 N3 O2 S | c1ccc(cc1).... |
55 | 3PI0 | - | F91 | C14 H14 N2 O2 | c1cc2c(cc1.... |
56 | 1GVU | Ki = 1 nM | PRO HIS PRO PHE HIS STA VAL ILE HIS LYS | n/a | n/a |
57 | 1EPL | - | PRO LEU GLU PSA ARG LEU | n/a | n/a |
58 | 4Y3Y | Kd = 4.5 mM | DCL | C6 H15 N O | CC(C)C[C@@.... |
59 | 1E5O | - | 3AI | C23 H38 N4 O4 S | CC[C@H](C).... |
60 | 3PLD | - | F90 | C8 H9 Cl N2 S | [H]/N=C(N).... |
61 | 5MB0 | Kd = 1.4 mM | F91 | C14 H14 N2 O2 | c1cc2c(cc1.... |
62 | 2ER6 | Ki = 60 nM | PRO THR GLU PUK ARG GLU | n/a | n/a |
63 | 3URI | - | HIS PRO HIS LEU SER 13E ALA HIS | n/a | n/a |
64 | 4LHH | Ki = 6 uM | 1TZ | C21 H24 N4 O | Cc1cc(c(c(.... |
65 | 4Y48 | - | GLY PRO | n/a | n/a |
66 | 1E82 | - | M90 | C34 H49 N5 O6 S | CSC[C@@H](.... |
67 | 1EPN | - | 2ZS | C31 H48 N4 O7 S | CC(C)OC(=O.... |
68 | 2ER9 | Ki = 40 nM | BOC HIS PRO PHE HIS STA LEU PHE | n/a | n/a |
69 | 4Y4J | Kd = 3.4 mM | LNR | C8 H11 N O3 | c1cc(c(cc1.... |
70 | 1GVX | Ki = 60 nM | PRO THR GLU PUK ARG GLU | n/a | n/a |
71 | 3PM4 | - | F5N | C15 H13 N3 O | c1ccc(cc1).... |
72 | 3PB5 | - | F63 | C11 H12 N2 O2 | CNCc1ccc(o.... |
73 | 4ZE6 | Kd = 3.3 mM | 011 | C7 H15 N O2 | C(CCCN)CCC.... |
74 | 3PBZ | - | F02 | C11 H17 N3 O | CCN(CC)c1c.... |
75 | 4ER1 | Ki = 0.24 uM | 0ZP | C51 H68 N5 O4 | CC[C@H](C).... |
76 | 3OWN | Ki = 34 nM | 3OX | C37 H48 N4 O7 S | CC(C)CNC(=.... |
77 | 2G21 | - | L1B | C19 H24 N5 O | CCc1c(c(nc.... |
78 | 4RYC | ic50 = 0.08 uM | 3ZK | C27 H39 N3 O6 S | Cc1ccc(cc1.... |
79 | 3D91 | Kd = 131 pM | REM | C33 H50 N4 O6 S | CC(C)(C)S(.... |
80 | 1BIL | ic50 = 0.5 nM | 0IU | C34 H53 N5 O5 S | NULL |
81 | 3KM4 | ic50 = 1.3 nM | 22X | C28 H45 Cl N4 O3 | CC(=O)NCCC.... |
82 | 2G24 | - | 7IG | C19 H19 F2 N5 | CCc1c(c(nc.... |
83 | 2IL2 | Kd = 79 nM | LIX | C32 H38 N6 O5 S | CCc1c(c(nc.... |
84 | 5SY3 | ic50 = 43 uM | 74Z | C15 H15 N3 O S | c1cc(oc1)C.... |
85 | 4Q1N | ic50 = 0.2 nM | 2Y9 | C26 H42 N4 O4 | CCOC[C@@H].... |
86 | 2I4Q | ic50 = 0.007 uM | UA4 | C25 H27 F2 N5 O3 | CCc1c(c(nc.... |
87 | 2BKS | ic50 = 37 nM | PZ1 | C34 H41 N3 O6 | COc1ccccc1.... |
88 | 4S1G | Ki = 0.6 nM | 43T | C24 H29 F N4 O2 | C[C@@H](c1.... |
89 | 4XX3 | Ki = 56 nM | 70X | C23 H28 N4 O2 | [H]/N=C1/N.... |
90 | 2G1S | - | 4IG | C24 H25 F2 N5 O3 | CCc1c(c(nc.... |
91 | 2G20 | - | L1A | C33 H50 N6 O7 S2 | CC(C)C[C@@.... |
92 | 5SXN | ic50 = 11 uM | 74U | C19 H15 N3 O | c1ccc(cc1).... |
93 | 3G70 | ic50 = 0.4 nM | A5T | C33 H32 Cl3 F2 N3 O2 | c1cc(c(c(c.... |
94 | 2G1Y | - | 5IG | C20 H27 N5 O3 | CCc1c(c(nc.... |
95 | 2G1R | - | 3IG | C20 H26 N6 O3 | CCc1c(c(nc.... |
96 | 4GJC | ic50 = 0.09 uM | 0MJ | C27 H29 N3 O4 S | Cc1ccc(cc1.... |
97 | 4GJ8 | - | 0LW | C20 H23 N O S | c1ccc2c(c1.... |
98 | 5SY2 | ic50 = 11 uM | 74V | C18 H25 N5 O2 | CCN([C@H]1.... |
99 | 5KOS | ic50 = 1.5 nM | 6VS | C27 H46 N6 O4 | CC(C)CN([C.... |
100 | 3G72 | ic50 = 0.8 nM | A6T | C33 H32 Cl3 F2 N3 O2 | c1cc(c(c(c.... |
101 | 3G6Z | ic50 = 0.2 nM | A7T | C35 H39 Cl2 N3 O3 | Cc1cccc(c1.... |
102 | 3GW5 | ic50 = 0.47 nM | 72X | C28 H46 Cl N3 O3 | CNC[C@H](C.... |
103 | 3SFC | ic50 = 0.003 uM | S53 | C32 H29 F N4 O2 | Cc1ccc(cc1.... |
104 | 2IKO | Kd = 3571 nM | 7IG | C19 H19 F2 N5 | CCc1c(c(nc.... |
105 | 3K1W | - | BFX | C31 H31 Br Cl F N2 O2 | c1ccc(c(c1.... |
106 | 4XX4 | Ki = 44 nM | 70Y | C25 H30 N4 O2 | [H]/N=C1/N.... |
107 | 2FS4 | ic50 = 37 nM | PZ1 | C34 H41 N3 O6 | COc1ccccc1.... |
108 | 2BKT | ic50 = 23 nM | RPF | C31 H37 N3 O5 | COc1ccccc1.... |
109 | 4GJ5 | - | 0LR | C22 H23 N O | c1ccc(cc1).... |
110 | 2G22 | - | 6IG | C27 H35 N5 O | CCc1c(c(nc.... |
111 | 1RNE | ic50 = 2 nM | C60 | C39 H63 N5 O6 S | CCCCNC(=O).... |
112 | 2G26 | - | 3LG | C32 H35 N3 O7 | COc1ccccc1.... |
113 | 4Y6M | - | 48Q | C39 H52 N4 O4 | CCCN(CCC)C.... |
114 | 5YIE | Ki = 5.6 nM | 8VF | C39 H51 N5 O6 S | CCN(CCN)c1.... |
115 | 5YID | Ki = 4 nM | K95 | C37 H44 N4 O6 S2 | CC1([C@H](.... |
116 | 2IGX | - | A1T | C41 H49 N5 O2 | CCCCCc1ccc.... |
117 | 5YIC | Ki = 1.3 nM | 8VO | C37 H45 N5 O6 S2 | CC1([C@H](.... |
118 | 4CKU | ic50 = 0.15 uM | P2F | C38 H52 N4 O6 S | CCCN(CCC)C.... |
119 | 1XDH | - | IVA VAL VAL STA ALA STA | n/a | n/a |
120 | 1LF2 | - | R37 | C32 H41 N3 O4 | Cc1cccc(c1.... |
121 | 5YIB | Ki = 3.3 nM | 8VC | C40 H53 N5 O6 S | Cc1cc(cc(c.... |
122 | 1LEE | - | R36 | C32 H41 N3 O4 | Cc1cccc(c1.... |
123 | 5YIA | Ki = 3 nM | 8V9 | C37 H44 N4 O7 S2 | CC1([C@H](.... |
124 | 1XE5 | - | 5FE | C29 H47 F6 N5 O9 | C[C@@H](C(.... |
125 | 5RBV | - | RQD | C10 H12 F N O2 | COC(=O)[C@.... |
126 | 5RCG | - | REG | C11 H20 N2 O2 | C1CCC(C1)N.... |
127 | 5R1U | - | T9G | C9 H13 N O | CC[C@H](c1.... |
128 | 5RC3 | - | RAY | C11 H14 F N O3 | COCCOCC(=O.... |
129 | 5R21 | - | R9Y | C11 H16 N2 | CN1CCCc2c1.... |
130 | 5RCE | - | RE4 | C11 H13 N5 | Cc1cc(nc(n.... |
131 | 5RBS | - | R8V | C9 H9 N O2 | CN1[C@H](c.... |
132 | 5RBU | - | R97 | C10 H10 N2 S | Cc1csc(n1).... |
133 | 5R2C | - | RE4 | C11 H13 N5 | Cc1cc(nc(n.... |
134 | 5R20 | - | R9V | C14 H19 N O | c1ccc(cc1).... |
135 | 5RCC | - | RDV | C12 H22 N2 O | C1CCC(C1)C.... |
136 | 5RC4 | - | RB7 | C11 H16 Br N O2 S | Cc1cc(ccc1.... |
137 | 5R25 | - | RBJ | C8 H11 N O | CNCc1ccc(c.... |
138 | 5HCT | Ki = 0.0254 uM | 61P | C30 H30 N8 O2 | c1ccc2c(c1.... |
139 | 5R1W | - | R8Y | C10 H13 N O3 S | CCN(CCC(=O.... |
140 | 5R23 | - | RAY | C11 H14 F N O3 | COCCOCC(=O.... |
141 | 5RC5 | - | RBG | C10 H20 N2 O | CC(C)(C)NC.... |
142 | 5RCB | - | RDM | C12 H15 N O3 | CC(=O)N[C@.... |
143 | 5RC6 | - | RBJ | C8 H11 N O | CNCc1ccc(c.... |
144 | 5RBQ | - | R8P | C8 H9 N O3 | C[C@@H](c1.... |
145 | 5R1V | - | R8S | C5 H8 N4 O | COc1ccnc(n.... |
146 | 5R1Z | - | R9M | C6 H7 N O2 S | c1csc(n1)C.... |
147 | 5R2B | - | RDY | C12 H15 N O4 | C[C@@H](C(.... |
148 | 5RC7 | - | AES | C8 H10 F N O2 S | c1cc(ccc1C.... |
149 | 5RBO | - | R8A | C6 H8 N2 O | c1cc(c(nc1.... |
150 | 5R26 | - | RCV | C10 H13 N O3 | COC(=O)COc.... |
151 | 5R1Y | - | R9J | C11 H15 N O2 | Cc1ccc(cc1.... |
152 | 5RBZ | - | R9S | C9 H11 N O | Cc1ccccc1C.... |
153 | 5R1X | - | RQD | C10 H12 F N O2 | COC(=O)[C@.... |
154 | 5RC8 | - | RCV | C10 H13 N O3 | COC(=O)COc.... |
155 | 5RC9 | - | RD4 | C9 H12 N2 O | [H]/N=C(c1.... |
156 | 5RBY | - | R9M | C6 H7 N O2 S | c1csc(n1)C.... |
157 | 5RCF | - | RE7 | C13 H16 F N3 | C[C@H](c1c.... |
158 | 5R24 | - | RB7 | C11 H16 Br N O2 S | Cc1cc(ccc1.... |
159 | 5R28 | - | RDJ | C9 H15 N3 O2 S | CCNC(=O)CS.... |
160 | 5RBT | - | RA7 | C8 H12 N2 O2 S | c1c(sc(n1).... |
161 | 5RCD | - | RDY | C12 H15 N O4 | C[C@@H](C(.... |
162 | 5RBR | - | R8S | C5 H8 N4 O | COc1ccnc(n.... |
163 | 5R2D | - | REG | C11 H20 N2 O2 | C1CCC(C1)N.... |
164 | 5RC0 | - | R9V | C14 H19 N O | c1ccc(cc1).... |
165 | 5R29 | - | RDM | C12 H15 N O3 | CC(=O)N[C@.... |
166 | 5R1T | - | R8A | C6 H8 N2 O | c1cc(c(nc1.... |
167 | 5R2A | - | RDV | C12 H22 N2 O | C1CCC(C1)C.... |
168 | 5R27 | - | RD4 | C9 H12 N2 O | [H]/N=C(c1.... |
169 | 5RBX | - | R9J | C11 H15 N O2 | Cc1ccc(cc1.... |
170 | 5RC1 | - | R9Y | C11 H16 N2 | CN1CCCc2c1.... |
171 | 5RCA | - | RDJ | C9 H15 N3 O2 S | CCNC(=O)CS.... |
172 | 5R22 | - | RA7 | C8 H12 N2 O2 S | c1c(sc(n1).... |
173 | 5RC2 | - | R8Y | C10 H13 N O3 S | CCN(CCC(=O.... |
174 | 5RBW | - | R9G | C12 H15 N O2 | COc1cccc(c.... |
175 | 5RBP | - | SYG | C9 H13 N O | CC[C@@H](c.... |
176 | 1PPM | Ki = 1600 nM | 0P1 | C29 H40 N3 O9 P | C[C@@H](C(.... |
177 | 2WED | Ki = 0.8 uM | PP6 | C29 H32 N2 O7 P | CC(C)[C@H].... |
178 | 1APU | Ki = 1.6 nM | IVA VAL VAL 32L | n/a | n/a |
179 | 2WEC | Ki = 110 uM | PP5 | C28 H32 N2 O7 P | CC(C)[C@@H.... |
180 | 1APW | Ki = 10 nM | IVA VAL VAL DFI NME | n/a | n/a |
181 | 1PPL | Ki = 2.8 nM | 1Z7 | C30 H50 N3 O8 P | CC(C)C[C@H.... |
182 | 2WEB | Ki = 7.6 uM | PP4 | C28 H32 N2 O7 P | CC(C)[C@@H.... |
183 | 2WEA | - | PP6 | C29 H32 N2 O7 P | CC(C)[C@H].... |
184 | 1BXO | Ki = 0.1 nM | PP7 | C30 H47 N4 O9 P | CC(C)C[C@@.... |
185 | 1APT | - | IVA VAL VAL LTA | n/a | n/a |
186 | 1PPK | Ki = 22 nM | IVV | C24 H46 N3 O7 P | CCOC(=O)C[.... |
187 | 1BXQ | Ki = 42 nM | PP8 | C29 H47 N4 O9 P | CC(C)C[C@H.... |
188 | 1APV | Ki = 1 nM | IVA VAL VAL DFO NME | n/a | n/a |
189 | 1SMR | - | PIV HIS PRO PHE HIS LPL TYR TYR SER | n/a | n/a |
190 | 1QRP | - | HH0 | C36 H60 N5 O10 P | C[C@@H](C(.... |
191 | 1PSO | - | IVA VAL VAL STA ALA STA | n/a | n/a |
192 | 2QZX | ic50 = 6 nM | IVA VAL VAL STA ALA STA | n/a | n/a |
193 | 2JXR | Ki = 90 nM | 2Z3 | C32 H49 F2 N5 O7 | NULL |
194 | 1FQ5 | Ki = 4 nM | 0GM | C51 H61 N5 O6 | CC(C)C[C@H.... |
195 | 1QS8 | - | IVA VAL VAL STA ALA STA | n/a | n/a |
196 | 1ZAP | Ki = 0.17 nM | A70 | C42 H70 N6 O5 | CCCC[C@@H].... |
197 | 1IZE | - | IVA VAL VAL STA ALA STA | n/a | n/a |
198 | 1WKR | - | IVA VAL VAL STA ALA STA | n/a | n/a |
199 | 5N7Q | - | IVA VAL VAL STA ALA STA | n/a | n/a |
200 | 5N70 | Kd ~ 3 nM | ALA PHE ARG ILE PRO LEU THR ARG | n/a | n/a |
201 | 3EMY | - | IVA VAL VAL STA ALA STA | n/a | n/a |
202 | 2H6T | Ki = 60 nM | IVA VAL VAL STA ALA STA | n/a | n/a |
203 | 3FV3 | Ki = 0.3 nM | IVA VAL VAL STA ALA STA | n/a | n/a |
204 | 3QVI | - | K95 | C37 H44 N4 O6 S2 | CC1([C@H](.... |
205 | 3APR | - | DHI PRO PHE HIS PUK VAL TYR | n/a | n/a |
206 | 6APR | Ki < 17 nM | IVA VAL VAL STA ALA STA | n/a | n/a |
207 | 5APR | Ki < 17 nM | HIS PRO PHE CYS STA LEU PHE DHL | n/a | n/a |
208 | 4APR | Ki = 200 nM | IVA HIS PRO PHE HIS STA LEU PHE | n/a | n/a |
209 | 1CZI | - | PRO PHI SMC NOR | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | HIC | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | B3U | 0.9888 |
2 | HIS | 0.9762 |
3 | PHE | 0.9709 |
4 | HJH | 0.9648 |
5 | NFA | 0.9635 |
6 | PPY | 0.9632 |
7 | HFA | 0.9630 |
8 | 4LV | 0.9559 |
9 | TIH | 0.9548 |
10 | SHI | 0.9539 |
11 | S2P | 0.9533 |
12 | ISA | 0.9533 |
13 | HX4 | 0.9526 |
14 | TYR | 0.9514 |
15 | AOT | 0.9514 |
16 | DYT | 0.9504 |
17 | HHI | 0.9502 |
18 | 4BF | 0.9501 |
19 | BNL | 0.9492 |
20 | QUS | 0.9484 |
21 | A5E | 0.9441 |
22 | IWT | 0.9441 |
23 | UN1 | 0.9429 |
24 | 0A9 | 0.9427 |
25 | PHI | 0.9420 |
26 | ENO | 0.9419 |
27 | GLN | 0.9417 |
28 | 56D | 0.9413 |
29 | PFF | 0.9411 |
30 | MSR | 0.9410 |
31 | DPN | 0.9391 |
32 | CPZ | 0.9389 |
33 | XDK | 0.9386 |
34 | BRH | 0.9378 |
35 | HCI | 0.9370 |
36 | 4LW | 0.9361 |
37 | KTJ | 0.9360 |
38 | DIR | 0.9359 |
39 | TYC | 0.9358 |
40 | 36Y | 0.9356 |
41 | HF2 | 0.9355 |
42 | B40 | 0.9355 |
43 | 1Z6 | 0.9354 |
44 | 2UB | 0.9349 |
45 | M74 | 0.9343 |
46 | OTR | 0.9342 |
47 | 7VP | 0.9338 |
48 | 33S | 0.9332 |
49 | DHI | 0.9331 |
50 | E0O | 0.9329 |
51 | PIM | 0.9327 |
52 | DTY | 0.9323 |
53 | HNL | 0.9313 |
54 | 6TZ | 0.9311 |
55 | URO | 0.9311 |
56 | XIZ | 0.9309 |
57 | C82 | 0.9307 |
58 | TYL | 0.9307 |
59 | HSO | 0.9305 |
60 | C1M | 0.9304 |
61 | MPV | 0.9299 |
62 | M6H | 0.9294 |
63 | J9N | 0.9294 |
64 | PO6 | 0.9288 |
65 | R20 | 0.9279 |
66 | AKG | 0.9276 |
67 | GLU | 0.9272 |
68 | R2P | 0.9265 |
69 | P80 | 0.9262 |
70 | TYE | 0.9260 |
71 | R9J | 0.9258 |
72 | NCT | 0.9252 |
73 | PCS | 0.9242 |
74 | FHC | 0.9241 |
75 | HHH | 0.9239 |
76 | 3QO | 0.9220 |
77 | ONL | 0.9219 |
78 | SNU | 0.9218 |
79 | ARG | 0.9217 |
80 | EN1 | 0.9216 |
81 | 0NX | 0.9216 |
82 | FZM | 0.9213 |
83 | R9M | 0.9208 |
84 | HQJ | 0.9208 |
85 | DE5 | 0.9207 |
86 | GVG | 0.9203 |
87 | DAH | 0.9198 |
88 | 4BY | 0.9196 |
89 | TT4 | 0.9194 |
90 | GVY | 0.9191 |
91 | TCA | 0.9184 |
92 | 6HO | 0.9181 |
93 | L5V | 0.9179 |
94 | 6FZ | 0.9175 |
95 | F4K | 0.9175 |
96 | 4I8 | 0.9174 |
97 | 5WZ | 0.9174 |
98 | LSQ | 0.9173 |
99 | AMQ | 0.9173 |
100 | PH3 | 0.9171 |
101 | F4E | 0.9170 |
102 | N9J | 0.9169 |
103 | Q9Z | 0.9166 |
104 | BZ2 | 0.9166 |
105 | MMS | 0.9164 |
106 | 4V2 | 0.9160 |
107 | CK2 | 0.9158 |
108 | 52C | 0.9157 |
109 | FK8 | 0.9156 |
110 | P7Y | 0.9155 |
111 | LVD | 0.9155 |
112 | 1L5 | 0.9155 |
113 | HNH | 0.9154 |
114 | 1BN | 0.9153 |
115 | 1A7 | 0.9151 |
116 | 2HG | 0.9151 |
117 | D3G | 0.9149 |
118 | HC4 | 0.9147 |
119 | PBA | 0.9141 |
120 | 92G | 0.9141 |
121 | XCG | 0.9141 |
122 | J0Z | 0.9140 |
123 | HWD | 0.9140 |
124 | JF6 | 0.9139 |
125 | MEQ | 0.9138 |
126 | J6W | 0.9134 |
127 | 3YP | 0.9133 |
128 | 173 | 0.9129 |
129 | OGA | 0.9126 |
130 | AHN | 0.9125 |
131 | L22 | 0.9125 |
132 | KDG | 0.9122 |
133 | M45 | 0.9120 |
134 | Q06 | 0.9117 |
135 | MUC | 0.9117 |
136 | P81 | 0.9116 |
137 | GWM | 0.9112 |
138 | RQD | 0.9110 |
139 | 3PG | 0.9110 |
140 | RA7 | 0.9110 |
141 | FUD | 0.9108 |
142 | PMF | 0.9108 |
143 | LNR | 0.9107 |
144 | REL | 0.9106 |
145 | HNK | 0.9103 |
146 | K7M | 0.9102 |
147 | OOG | 0.9101 |
148 | CK1 | 0.9101 |
149 | ISZ | 0.9100 |
150 | C53 | 0.9096 |
151 | Z70 | 0.9092 |
152 | HL4 | 0.9092 |
153 | 4HP | 0.9092 |
154 | OHJ | 0.9090 |
155 | PJW | 0.9089 |
156 | 069 | 0.9083 |
157 | 7BC | 0.9082 |
158 | E7S | 0.9080 |
159 | NF3 | 0.9079 |
160 | EDR | 0.9078 |
161 | HPP | 0.9075 |
162 | SOR | 0.9064 |
163 | S2G | 0.9063 |
164 | 263 | 0.9062 |
165 | TMG | 0.9059 |
166 | 2F6 | 0.9058 |
167 | HDH | 0.9056 |
168 | 7OD | 0.9055 |
169 | YPN | 0.9055 |
170 | 7QS | 0.9054 |
171 | 3ZB | 0.9054 |
172 | 9GB | 0.9053 |
173 | GPF | 0.9052 |
174 | 428 | 0.9052 |
175 | P58 | 0.9052 |
176 | S7S | 0.9049 |
177 | 1WC | 0.9047 |
178 | SYM | 0.9047 |
179 | GPJ | 0.9047 |
180 | 363 | 0.9045 |
181 | 2QC | 0.9044 |
182 | RNO | 0.9043 |
183 | 13P | 0.9041 |
184 | GZ2 | 0.9037 |
185 | YTX | 0.9037 |
186 | 14W | 0.9036 |
187 | JB8 | 0.9035 |
188 | 7Q1 | 0.9034 |
189 | 50C | 0.9034 |
190 | M4T | 0.9034 |
191 | 4PN | 0.9028 |
192 | A29 | 0.9027 |
193 | 3HG | 0.9027 |
194 | MES | 0.9027 |
195 | 1X4 | 0.9026 |
196 | S0W | 0.9026 |
197 | 3C4 | 0.9026 |
198 | K6H | 0.9024 |
199 | Q04 | 0.9021 |
200 | SYC | 0.9021 |
201 | RUY | 0.9019 |
202 | BP3 | 0.9018 |
203 | CH8 | 0.9016 |
204 | DI6 | 0.9015 |
205 | BPY | 0.9015 |
206 | I3E | 0.9015 |
207 | EVF | 0.9014 |
208 | TZM | 0.9013 |
209 | SEP | 0.9013 |
210 | 6JN | 0.9012 |
211 | BZE | 0.9011 |
212 | O45 | 0.9010 |
213 | HL5 | 0.9009 |
214 | 3QM | 0.9006 |
215 | TB8 | 0.9006 |
216 | JDN | 0.9006 |
217 | LYS | 0.9005 |
218 | DE3 | 0.9003 |
219 | 46P | 0.9003 |
220 | F9P | 0.9002 |
221 | ASC | 0.9000 |
222 | YIE | 0.9000 |
223 | MAH | 0.8998 |
224 | PPT | 0.8996 |
225 | SNO | 0.8995 |
226 | AVI | 0.8993 |
227 | 4XF | 0.8989 |
228 | PRA | 0.8988 |
229 | EQW | 0.8987 |
230 | PGH | 0.8986 |
231 | KMH | 0.8985 |
232 | LPK | 0.8984 |
233 | FTV | 0.8984 |
234 | J9T | 0.8983 |
235 | 8GL | 0.8981 |
236 | JRB | 0.8981 |
237 | TAG | 0.8981 |
238 | 2HC | 0.8977 |
239 | ALA ALA | 0.8976 |
240 | AX3 | 0.8975 |
241 | FWD | 0.8974 |
242 | 7MU | 0.8974 |
243 | E4P | 0.8971 |
244 | A3M | 0.8971 |
245 | AHC | 0.8970 |
246 | 2AL | 0.8967 |
247 | ICB | 0.8967 |
248 | F06 | 0.8967 |
249 | BNF | 0.8965 |
250 | BVA | 0.8965 |
251 | 5OO | 0.8964 |
252 | F90 | 0.8963 |
253 | DGN | 0.8962 |
254 | CWD | 0.8961 |
255 | PBN | 0.8961 |
256 | CS2 | 0.8961 |
257 | PIY | 0.8958 |
258 | 3VW | 0.8957 |
259 | PTU | 0.8957 |
260 | 268 | 0.8957 |
261 | DZA | 0.8957 |
262 | L13 | 0.8957 |
263 | TRP | 0.8957 |
264 | SOJ | 0.8956 |
265 | PZI | 0.8955 |
266 | N4B | 0.8954 |
267 | 4FP | 0.8952 |
268 | 650 | 0.8951 |
269 | XRX | 0.8948 |
270 | DHC | 0.8947 |
271 | Q03 | 0.8947 |
272 | 9W5 | 0.8945 |
273 | 492 | 0.8944 |
274 | IYR | 0.8940 |
275 | 7O4 | 0.8940 |
276 | 1GP | 0.8940 |
277 | HXY | 0.8938 |
278 | AL0 | 0.8938 |
279 | 0A1 | 0.8937 |
280 | 1VK | 0.8935 |
281 | MTL | 0.8934 |
282 | 3H2 | 0.8934 |
283 | LZ5 | 0.8933 |
284 | 2PV | 0.8931 |
285 | LTT | 0.8930 |
286 | KYN | 0.8929 |
287 | QMP | 0.8929 |
288 | ERZ | 0.8929 |
289 | 2BX | 0.8929 |
290 | DHM | 0.8928 |
291 | NNH | 0.8927 |
292 | URS | 0.8925 |
293 | LLH | 0.8924 |
294 | GZL | 0.8924 |
295 | G14 | 0.8923 |
296 | CH9 | 0.8922 |
297 | IWD | 0.8920 |
298 | OSE | 0.8918 |
299 | 15N | 0.8917 |
300 | G3H | 0.8917 |
301 | M3H | 0.8916 |
302 | GNW | 0.8916 |
303 | ONR | 0.8916 |
304 | B85 | 0.8915 |
305 | LNO | 0.8915 |
306 | PSJ | 0.8914 |
307 | GUA | 0.8914 |
308 | FPL | 0.8913 |
309 | 264 | 0.8912 |
310 | X48 | 0.8911 |
311 | FMQ | 0.8910 |
312 | 2B4 | 0.8908 |
313 | YOF | 0.8905 |
314 | MJ5 | 0.8904 |
315 | CXP | 0.8903 |
316 | 0F9 | 0.8903 |
317 | OKG | 0.8902 |
318 | XDE | 0.8902 |
319 | ALE | 0.8902 |
320 | 3CR | 0.8900 |
321 | X1R | 0.8900 |
322 | RLG | 0.8899 |
323 | PKU | 0.8899 |
324 | RP3 | 0.8896 |
325 | BWD | 0.8896 |
326 | TOH | 0.8895 |
327 | 49F | 0.8895 |
328 | ENW | 0.8893 |
329 | OEG | 0.8893 |
330 | 152 | 0.8891 |
331 | 7R4 | 0.8890 |
332 | ONH | 0.8890 |
333 | C0H | 0.8889 |
334 | GGB | 0.8888 |
335 | 269 | 0.8886 |
336 | JGB | 0.8886 |
337 | JX7 | 0.8886 |
338 | AEG | 0.8885 |
339 | 1PS | 0.8885 |
340 | GCO | 0.8884 |
341 | 9J3 | 0.8883 |
342 | SAF | 0.8882 |
343 | 0BP | 0.8882 |
344 | DAL DAL | 0.8882 |
345 | CCU | 0.8880 |
346 | ZZA | 0.8877 |
347 | CIR | 0.8876 |
348 | ATX | 0.8876 |
349 | 0VT | 0.8873 |
350 | JZA | 0.8870 |
351 | HPS | 0.8868 |
352 | NFM | 0.8867 |
353 | HPN | 0.8867 |
354 | RAT | 0.8866 |
355 | N2Z | 0.8865 |
356 | HG3 | 0.8865 |
357 | 3LR | 0.8863 |
358 | CFA | 0.8863 |
359 | IAC | 0.8861 |
360 | FOM | 0.8861 |
361 | GJZ | 0.8860 |
362 | 4Z9 | 0.8859 |
363 | 2BG | 0.8857 |
364 | GT4 | 0.8857 |
365 | LGT | 0.8857 |
366 | 6ZX | 0.8855 |
367 | 7UZ | 0.8855 |
368 | B41 | 0.8854 |
369 | M5E | 0.8854 |
370 | URP | 0.8854 |
371 | GLR | 0.8853 |
372 | QDK | 0.8853 |
373 | G3P | 0.8852 |
374 | 3BU | 0.8852 |
375 | EOU | 0.8850 |
376 | GGL | 0.8850 |
377 | E79 | 0.8848 |
378 | BHH | 0.8847 |
379 | QY9 | 0.8845 |
380 | 2IT | 0.8844 |
381 | GLO | 0.8843 |
382 | 3OM | 0.8841 |
383 | SOL | 0.8840 |
384 | 3R4 | 0.8840 |
385 | J9Q | 0.8838 |
386 | LL2 | 0.8837 |
387 | DXG | 0.8837 |
388 | L14 | 0.8836 |
389 | 4CF | 0.8836 |
390 | DTR | 0.8835 |
391 | XLS | 0.8834 |
392 | 7ZL | 0.8833 |
393 | 258 | 0.8833 |
394 | HX8 | 0.8833 |
395 | HGA | 0.8832 |
396 | KTA | 0.8831 |
397 | M72 | 0.8831 |
398 | MPK | 0.8828 |
399 | 6J5 | 0.8827 |
400 | XQI | 0.8827 |
401 | 61M | 0.8825 |
402 | S8V | 0.8824 |
403 | GVM | 0.8822 |
404 | 12T | 0.8821 |
405 | ABF | 0.8820 |
406 | 4ZD | 0.8819 |
407 | PRO GLY | 0.8819 |
408 | GP9 | 0.8818 |
409 | I4B | 0.8816 |
410 | K80 | 0.8813 |
411 | BQ2 | 0.8813 |
412 | MAJ | 0.8813 |
413 | YZM | 0.8810 |
414 | VXX | 0.8807 |
415 | 6MW | 0.8804 |
416 | ODK | 0.8803 |
417 | RNS | 0.8802 |
418 | ILO | 0.8802 |
419 | SSC | 0.8801 |
420 | N2Y | 0.8799 |
421 | LT1 | 0.8797 |
422 | SDD | 0.8796 |
423 | 9UL | 0.8796 |
424 | DLT | 0.8796 |
425 | 54F | 0.8795 |
426 | NYL | 0.8792 |
427 | OIA | 0.8790 |
428 | 8NX | 0.8788 |
429 | RNT | 0.8787 |
430 | 4BL | 0.8784 |
431 | 5XB | 0.8784 |
432 | 9B3 | 0.8783 |
433 | LFC | 0.8782 |
434 | XYH | 0.8781 |
435 | 92K | 0.8779 |
436 | API | 0.8779 |
437 | MP5 | 0.8779 |
438 | 5VL | 0.8772 |
439 | 8SZ | 0.8771 |
440 | DAR | 0.8769 |
441 | FCD | 0.8768 |
442 | URQ | 0.8768 |
443 | FOC | 0.8768 |
444 | DEZ | 0.8766 |
445 | IOS | 0.8765 |
446 | 97T | 0.8764 |
447 | HDL | 0.8759 |
448 | 3AL | 0.8759 |
449 | S3C | 0.8758 |
450 | AMH | 0.8756 |
451 | SG3 | 0.8756 |
452 | IC9 | 0.8755 |
453 | DER | 0.8755 |
454 | SQ4 | 0.8752 |
455 | PJL | 0.8751 |
456 | ZZ2 | 0.8750 |
457 | X6P | 0.8750 |
458 | 8U3 | 0.8749 |
459 | 9ON | 0.8749 |
460 | ROR | 0.8749 |
461 | HBU | 0.8747 |
462 | LYN | 0.8747 |
463 | EXD | 0.8746 |
464 | 64Z | 0.8745 |
465 | FBF | 0.8744 |
466 | BY5 | 0.8743 |
467 | VM1 | 0.8741 |
468 | RVE | 0.8740 |
469 | 3TC | 0.8739 |
470 | A9P | 0.8739 |
471 | UA5 | 0.8736 |
472 | DC5 | 0.8734 |
473 | 4LR | 0.8733 |
474 | DXP | 0.8732 |
475 | 1XA | 0.8731 |
476 | 36E | 0.8729 |
477 | TU0 | 0.8728 |
478 | HSX | 0.8727 |
479 | XYL | 0.8727 |
480 | CCE | 0.8727 |
481 | S7J | 0.8726 |
482 | MF3 | 0.8726 |
483 | 36M | 0.8724 |
484 | SQV | 0.8724 |
485 | XXP | 0.8722 |
486 | CCD | 0.8722 |
487 | 3VQ | 0.8720 |
488 | DLY | 0.8719 |
489 | 3OL | 0.8718 |
490 | 4TB | 0.8718 |
491 | ZEC | 0.8716 |
492 | X11 | 0.8715 |
493 | BPW | 0.8714 |
494 | 795 | 0.8713 |
495 | 2FT | 0.8712 |
496 | CUW | 0.8709 |
497 | H4E | 0.8707 |
498 | 9PL | 0.8705 |
499 | GRQ | 0.8705 |
500 | A7N | 0.8704 |
501 | CLU | 0.8703 |
502 | K34 | 0.8702 |
503 | 1H1 | 0.8700 |
504 | IVL | 0.8699 |
505 | RB5 | 0.8695 |
506 | 7C3 | 0.8693 |
507 | 2LT | 0.8691 |
508 | IAR | 0.8689 |
509 | I38 | 0.8687 |
510 | Y4L | 0.8686 |
511 | MLZ | 0.8684 |
512 | 0L1 | 0.8683 |
513 | MXD | 0.8682 |
514 | Z13 | 0.8679 |
515 | B2Y | 0.8677 |
516 | IOP | 0.8676 |
517 | SSB | 0.8676 |
518 | M3P | 0.8675 |
519 | 0QW | 0.8675 |
520 | D2G | 0.8674 |
521 | 9BF | 0.8673 |
522 | SME | 0.8673 |
523 | N3W | 0.8673 |
524 | F98 | 0.8671 |
525 | B4O | 0.8668 |
526 | LL1 | 0.8667 |
527 | HPV | 0.8664 |
528 | 5RP | 0.8663 |
529 | 5DL | 0.8662 |
530 | AOS | 0.8661 |
531 | 5XA | 0.8661 |
532 | JPQ | 0.8661 |
533 | 3IL | 0.8660 |
534 | QH3 | 0.8659 |
535 | T2D | 0.8659 |
536 | BL0 | 0.8658 |
537 | S0F | 0.8657 |
538 | HMS | 0.8655 |
539 | LTL | 0.8655 |
540 | 11C | 0.8653 |
541 | STT | 0.8653 |
542 | KPA | 0.8652 |
543 | IPO | 0.8651 |
544 | HOC | 0.8650 |
545 | M1T | 0.8646 |
546 | QBM | 0.8646 |
547 | AG2 | 0.8646 |
548 | 4OG | 0.8643 |
549 | 7UC | 0.8642 |
550 | FF2 | 0.8639 |
551 | GAE | 0.8638 |
552 | RKV | 0.8636 |
553 | MHO | 0.8636 |
554 | AVJ | 0.8631 |
555 | RP5 | 0.8630 |
556 | NMM | 0.8627 |
557 | 7MW | 0.8623 |
558 | 1FD | 0.8621 |
559 | GLY ALA | 0.8617 |
560 | ENV | 0.8616 |
561 | 5HY | 0.8611 |
562 | 8EW | 0.8609 |
563 | TJM | 0.8605 |
564 | 2FM | 0.8595 |
565 | E35 | 0.8593 |
566 | 5H6 | 0.8577 |
567 | TEG | 0.8577 |
568 | F1X | 0.8577 |
569 | 0OL | 0.8575 |
570 | 26P | 0.8568 |
571 | 3AE | 0.8564 |
572 | NM2 | 0.8561 |
573 | 4TP | 0.8561 |
574 | IXW | 0.8559 |
575 | 2JJ | 0.8552 |
576 | 833 | 0.8549 |
577 | 6L6 | 0.8549 |
578 | N6C | 0.8546 |
579 | MZT | 0.8523 |
This union binding pocket(no: 1) in the query (biounit: 4er2.bio1) has 39 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1J71 | THR ILE THR SER | 42.4242 |