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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 | GLY PRO | 1 | 1 |
2 | GLY SIN PRO | 0.509804 | 0.956522 |
3 | PRO GLY PRO | 0.490909 | 0.88 |
4 | ALA PRO | 0.488889 | 0.869565 |
5 | SER PRO | 0.479167 | 0.843137 |
6 | LEU PRO | 0.45098 | 0.836735 |
7 | GHE | 0.416667 | 0.78 |
8 | LYS PRO | 0.410714 | 0.895833 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | N7P | 0.9459 |
2 | V6F | 0.9369 |
3 | X8Z | 0.9332 |
4 | 2TQ | 0.9289 |
5 | TRA | 0.9281 |
6 | AN0 | 0.9251 |
7 | URC | 0.9244 |
8 | SLC | 0.9238 |
9 | OTD | 0.9235 |
10 | ATH | 0.9214 |
11 | ASC | 0.9205 |
12 | 2MN | 0.9200 |
13 | GAL | 0.9198 |
14 | YQA | 0.9193 |
15 | NFQ | 0.9185 |
16 | TRC | 0.9179 |
17 | 3Z8 | 0.9171 |
18 | NTM | 0.9170 |
19 | 8TX | 0.9169 |
20 | 6CS | 0.9163 |
21 | MCO | 0.9163 |
22 | AIN | 0.9163 |
23 | FPK | 0.9159 |
24 | GV9 | 0.9148 |
25 | 293 | 0.9147 |
26 | F0J | 0.9140 |
27 | 3MG | 0.9139 |
28 | DOR | 0.9137 |
29 | S76 | 0.9136 |
30 | ORO | 0.9132 |
31 | GLC | 0.9132 |
32 | V55 | 0.9125 |
33 | 4ME | 0.9125 |
34 | FLC | 0.9121 |
35 | ICT | 0.9120 |
36 | PHT | 0.9120 |
37 | 2A7 | 0.9120 |
38 | O2A | 0.9119 |
39 | Q88 | 0.9115 |
40 | IT9 | 0.9113 |
41 | F12 | 0.9102 |
42 | VPR | 0.9099 |
43 | SR4 | 0.9099 |
44 | CDV | 0.9097 |
45 | OEM | 0.9094 |
46 | CIT | 0.9092 |
47 | MAN | 0.9086 |
48 | EV0 | 0.9084 |
49 | HJP | 0.9081 |
50 | 1AL | 0.9080 |
51 | CCB | 0.9076 |
52 | D1X | 0.9072 |
53 | NCD | 0.9068 |
54 | LSA | 0.9066 |
55 | Q6T | 0.9063 |
56 | SXS | 0.9063 |
57 | OXC | 0.9062 |
58 | 7NI | 0.9062 |
59 | 4M4 | 0.9061 |
60 | 3C7 | 0.9058 |
61 | AME | 0.9056 |
62 | QAT | 0.9055 |
63 | GZ8 | 0.9052 |
64 | GM7 | 0.9051 |
65 | 9MG | 0.9050 |
66 | SF9 | 0.9050 |
67 | 3NT | 0.9048 |
68 | J01 | 0.9045 |
69 | 2AL | 0.9045 |
70 | SF6 | 0.9044 |
71 | BMA | 0.9044 |
72 | MEV | 0.9043 |
73 | ISD | 0.9042 |
74 | GJS | 0.9042 |
75 | GLG | 0.9041 |
76 | SWA | 0.9041 |
77 | KLW | 0.9040 |
78 | MWP | 0.9040 |
79 | QAS | 0.9040 |
80 | 3Z7 | 0.9040 |
81 | PRZ | 0.9038 |
82 | ZZ8 | 0.9036 |
83 | G2F | 0.9036 |
84 | KT7 | 0.9031 |
85 | OIA | 0.9029 |
86 | TVP | 0.9027 |
87 | NTC | 0.9022 |
88 | KIB | 0.9018 |
89 | EUG | 0.9018 |
90 | AS3 | 0.9018 |
91 | B55 | 0.9017 |
92 | 0P6 | 0.9012 |
93 | AFR | 0.9012 |
94 | IPZ | 0.9011 |
95 | II6 | 0.9011 |
96 | BGC | 0.9009 |
97 | AKH | 0.9009 |
98 | G3F | 0.9009 |
99 | BDP | 0.9009 |
100 | QDK | 0.9008 |
101 | CWS | 0.9006 |
102 | G4D | 0.9005 |
103 | SKM | 0.9002 |
104 | 8VN | 0.9002 |
105 | VNL | 0.9002 |
106 | CWM | 0.8999 |
107 | RM1 | 0.8998 |
108 | 42C | 0.8997 |
109 | AHR | 0.8992 |
110 | ES0 | 0.8989 |
111 | 45L | 0.8988 |
112 | NOJ | 0.8981 |
113 | FOT | 0.8979 |
114 | 329 | 0.8978 |
115 | GAB | 0.8978 |
116 | TLA | 0.8976 |
117 | J9T | 0.8976 |
118 | DIG | 0.8976 |
119 | UNC | 0.8976 |
120 | GLA | 0.8975 |
121 | GUN | 0.8975 |
122 | ZZ3 | 0.8973 |
123 | IJZ | 0.8972 |
124 | MLT | 0.8971 |
125 | 53C | 0.8970 |
126 | 2D0 | 0.8967 |
127 | KBG | 0.8967 |
128 | 75K | 0.8967 |
129 | GAF | 0.8967 |
130 | GLO | 0.8966 |
131 | XAN | 0.8966 |
132 | 3OC | 0.8964 |
133 | 8IG | 0.8963 |
134 | PXL | 0.8962 |
135 | DIE | 0.8962 |
136 | 0LH | 0.8962 |
137 | 4HM | 0.8961 |
138 | AUD | 0.8960 |
139 | DMO | 0.8959 |
140 | GCU | 0.8958 |
141 | ZWZ | 0.8958 |
142 | M1H | 0.8958 |
143 | GIV | 0.8957 |
144 | 0OC | 0.8957 |
145 | 9DG | 0.8956 |
146 | I3A | 0.8953 |
147 | XUL | 0.8951 |
148 | KUF | 0.8950 |
149 | BE2 | 0.8950 |
150 | 5NU | 0.8949 |
151 | 5HY | 0.8948 |
152 | 34D | 0.8947 |
153 | FRU | 0.8945 |
154 | GIO | 0.8945 |
155 | 12M | 0.8945 |
156 | 261 | 0.8944 |
157 | ENL | 0.8944 |
158 | XYL | 0.8943 |
159 | RB5 | 0.8943 |
160 | HLZ | 0.8941 |
161 | 7B4 | 0.8939 |
162 | 069 | 0.8938 |
163 | 2ZQ | 0.8937 |
164 | B3U | 0.8934 |
165 | GLY ASP | 0.8934 |
166 | INE | 0.8933 |
167 | KIA | 0.8933 |
168 | 6M4 | 0.8932 |
169 | K3Q | 0.8932 |
170 | 7MU | 0.8931 |
171 | DBJ | 0.8927 |
172 | PZI | 0.8926 |
173 | AZF | 0.8925 |
174 | AW5 | 0.8924 |
175 | XAZ | 0.8924 |
176 | 2H5 | 0.8924 |
177 | 3HA | 0.8923 |
178 | DBH | 0.8921 |
179 | 8CM | 0.8920 |
180 | HPA | 0.8919 |
181 | GYP | 0.8918 |
182 | 1P3 | 0.8918 |
183 | IFM | 0.8916 |
184 | ZB1 | 0.8916 |
185 | GCS | 0.8916 |
186 | B5D | 0.8915 |
187 | GTQ | 0.8915 |
188 | 5JQ | 0.8915 |
189 | ZXD | 0.8915 |
190 | LCN | 0.8913 |
191 | 5JL | 0.8912 |
192 | K2P | 0.8912 |
193 | 3HB | 0.8912 |
194 | LGC | 0.8912 |
195 | ASO | 0.8911 |
196 | 5MK | 0.8910 |
197 | 7VS | 0.8910 |
198 | DHK | 0.8908 |
199 | 5WX | 0.8908 |
200 | GXL | 0.8907 |
201 | URQ | 0.8907 |
202 | 6LW | 0.8907 |
203 | 5RG | 0.8907 |
204 | XX3 | 0.8906 |
205 | BTY | 0.8906 |
206 | 8GC | 0.8905 |
207 | TFU | 0.8903 |
208 | 1LQ | 0.8903 |
209 | 7HQ | 0.8903 |
210 | 7ZE | 0.8902 |
211 | GTR | 0.8902 |
212 | 1WD | 0.8901 |
213 | GIF | 0.8901 |
214 | 7WR | 0.8901 |
215 | R8S | 0.8901 |
216 | VOH | 0.8901 |
217 | SHA | 0.8900 |
218 | HXX | 0.8900 |
219 | 1Z8 | 0.8899 |
220 | ZZT | 0.8898 |
221 | SAL | 0.8897 |
222 | 0W8 | 0.8896 |
223 | NMJ | 0.8895 |
224 | SX1 | 0.8894 |
225 | IFL | 0.8894 |
226 | 3MB | 0.8893 |
227 | 8EW | 0.8892 |
228 | MMA | 0.8892 |
229 | 54G | 0.8891 |
230 | NOY | 0.8891 |
231 | OXZ | 0.8891 |
232 | X6X | 0.8890 |
233 | 4VY | 0.8890 |
234 | 3AB | 0.8890 |
235 | TAG | 0.8889 |
236 | FYU | 0.8888 |
237 | CRN | 0.8887 |
238 | FP1 | 0.8885 |
239 | 2PG | 0.8884 |
240 | 95Z | 0.8884 |
241 | AKG | 0.8884 |
242 | JBH | 0.8884 |
243 | MBG | 0.8883 |
244 | 5M0 | 0.8883 |
245 | 1LM | 0.8883 |
246 | AZA | 0.8882 |
247 | N5J | 0.8881 |
248 | 2EC | 0.8881 |
249 | 1U1 | 0.8880 |
250 | OVM | 0.8880 |
251 | LKA | 0.8880 |
252 | 5HN | 0.8879 |
253 | ROR | 0.8879 |
254 | 8S0 | 0.8879 |
255 | 3XX | 0.8878 |
256 | 1GN | 0.8878 |
257 | 0GY | 0.8877 |
258 | AX3 | 0.8877 |
259 | FUL | 0.8876 |
260 | H76 | 0.8876 |
261 | NGO | 0.8876 |
262 | JPZ | 0.8876 |
263 | SRO | 0.8876 |
264 | ES1 | 0.8876 |
265 | 8WT | 0.8875 |
266 | EMZ | 0.8875 |
267 | GAG | 0.8874 |
268 | 4XR | 0.8873 |
269 | DZX | 0.8873 |
270 | 5IQ | 0.8872 |
271 | XQG | 0.8872 |
272 | 3DM | 0.8872 |
273 | KJY | 0.8871 |
274 | BDF | 0.8871 |
275 | OW4 | 0.8871 |
276 | 4XV | 0.8870 |
277 | 3IT | 0.8869 |
278 | 2LP | 0.8869 |
279 | 141 | 0.8869 |
280 | 5SG | 0.8869 |
281 | QBK | 0.8868 |
282 | ISZ | 0.8868 |
283 | JND | 0.8867 |
284 | A7W | 0.8867 |
285 | 4CS | 0.8866 |
286 | 1NP | 0.8866 |
287 | 1XN | 0.8865 |
288 | KOJ | 0.8865 |
289 | GLU | 0.8864 |
290 | 3R9 | 0.8863 |
291 | 1SQ | 0.8863 |
292 | OVV | 0.8862 |
293 | GDE | 0.8861 |
294 | 1XM | 0.8861 |
295 | RIB | 0.8861 |
296 | 3AL | 0.8860 |
297 | HMU | 0.8859 |
298 | G5V | 0.8859 |
299 | 2FG | 0.8859 |
300 | 6JN | 0.8859 |
301 | AMG | 0.8859 |
302 | 5Q0 | 0.8857 |
303 | J9W | 0.8857 |
304 | DMJ | 0.8857 |
305 | BHA | 0.8857 |
306 | DHB | 0.8856 |
307 | MNM | 0.8856 |
308 | AZG | 0.8856 |
309 | 3CU | 0.8856 |
310 | GLY CYS | 0.8855 |
311 | APZ | 0.8852 |
312 | 4YS | 0.8852 |
313 | PEZ | 0.8850 |
314 | DOB | 0.8850 |
315 | IF7 | 0.8849 |
316 | 7FF | 0.8849 |
317 | FUC | 0.8849 |
318 | 4P0 | 0.8849 |
319 | 9TZ | 0.8846 |
320 | BOA | 0.8846 |
321 | DNF | 0.8846 |
322 | SWD | 0.8845 |
323 | ADE | 0.8844 |
324 | 1P7 | 0.8844 |
325 | 4HC | 0.8842 |
326 | DQU | 0.8842 |
327 | 5RN | 0.8842 |
328 | Z5P | 0.8841 |
329 | PDC | 0.8841 |
330 | Z6J | 0.8841 |
331 | 94B | 0.8840 |
332 | WCE | 0.8840 |
333 | FA1 | 0.8840 |
334 | CKU | 0.8839 |
335 | LFR | 0.8838 |
336 | AGK | 0.8837 |
337 | RAM | 0.8837 |
338 | BTE | 0.8837 |
339 | 7HP | 0.8836 |
340 | DHS | 0.8836 |
341 | SC2 | 0.8834 |
342 | Q71 | 0.8833 |
343 | DEE | 0.8833 |
344 | FEH | 0.8832 |
345 | R8V | 0.8831 |
346 | DGJ | 0.8830 |
347 | GLY LEU | 0.8829 |
348 | HIS | 0.8828 |
349 | 091 | 0.8828 |
350 | MA3 | 0.8828 |
351 | DBX | 0.8828 |
352 | TTL | 0.8827 |
353 | QM1 | 0.8827 |
354 | INO | 0.8827 |
355 | B62 | 0.8826 |
356 | HQY | 0.8826 |
357 | XLS | 0.8826 |
358 | NXA | 0.8824 |
359 | 3F0 | 0.8823 |
360 | 5CU | 0.8823 |
361 | 51R | 0.8823 |
362 | BHO | 0.8822 |
363 | 3M0 | 0.8822 |
364 | IGA | 0.8822 |
365 | GLF | 0.8821 |
366 | 3MV | 0.8821 |
367 | QX4 | 0.8821 |
368 | F31 | 0.8819 |
369 | 4ZC | 0.8818 |
370 | KYD | 0.8818 |
371 | PA1 | 0.8817 |
372 | SHG | 0.8817 |
373 | 23J | 0.8817 |
374 | 3MA | 0.8816 |
375 | 3BZ | 0.8815 |
376 | 1X7 | 0.8815 |
377 | GLT | 0.8815 |
378 | 92P | 0.8815 |
379 | CFP | 0.8814 |
380 | O72 | 0.8812 |
381 | AEH | 0.8811 |
382 | RBL | 0.8811 |
383 | EPR | 0.8811 |
384 | RMN | 0.8808 |
385 | A29 | 0.8808 |
386 | EYK | 0.8807 |
387 | BRT | 0.8807 |
388 | YSO | 0.8807 |
389 | ICO | 0.8807 |
390 | KDF | 0.8806 |
391 | YH7 | 0.8806 |
392 | 3C2 | 0.8805 |
393 | DFU | 0.8804 |
394 | 8WO | 0.8802 |
395 | GT0 | 0.8800 |
396 | MFB | 0.8799 |
397 | A2F | 0.8799 |
398 | B2J | 0.8799 |
399 | MUA | 0.8799 |
400 | ADA | 0.8798 |
401 | 4XS | 0.8798 |
402 | 2M5 | 0.8796 |
403 | 4NC | 0.8796 |
404 | 4XH | 0.8795 |
405 | M0Q | 0.8795 |
406 | 149 | 0.8794 |
407 | B53 | 0.8792 |
408 | GZL | 0.8792 |
409 | UAN | 0.8792 |
410 | LT2 | 0.8791 |
411 | 2ZX | 0.8791 |
412 | D07 | 0.8791 |
413 | LYL | 0.8790 |
414 | FA3 | 0.8790 |
415 | C2U | 0.8790 |
416 | 1N4 | 0.8790 |
417 | OAA | 0.8789 |
418 | DAS | 0.8789 |
419 | XXG | 0.8789 |
420 | 44V | 0.8789 |
421 | BR8 | 0.8788 |
422 | 3R6 | 0.8787 |
423 | NIZ | 0.8785 |
424 | ERH | 0.8785 |
425 | 6AP | 0.8785 |
426 | ALL | 0.8785 |
427 | NCT | 0.8784 |
428 | SR1 | 0.8784 |
429 | HLD | 0.8784 |
430 | PSV | 0.8784 |
431 | FF3 | 0.8784 |
432 | YIO | 0.8783 |
433 | 8NX | 0.8783 |
434 | 290 | 0.8782 |
435 | DNC | 0.8779 |
436 | JFJ | 0.8779 |
437 | URF | 0.8778 |
438 | ADK | 0.8776 |
439 | 5B1 | 0.8775 |
440 | VNJ | 0.8774 |
441 | HNQ | 0.8774 |
442 | 6ME | 0.8774 |
443 | FSW | 0.8773 |
444 | 10L | 0.8773 |
445 | 5AC | 0.8773 |
446 | 5QX | 0.8771 |
447 | E7Z | 0.8770 |
448 | 5WY | 0.8770 |
449 | 60Q | 0.8770 |
450 | MXN | 0.8770 |
451 | A13 | 0.8769 |
452 | 0CU | 0.8769 |
453 | LDP | 0.8769 |
454 | HHA | 0.8768 |
455 | HH5 | 0.8768 |
456 | NGT | 0.8768 |
457 | FUF | 0.8768 |
458 | 9DA | 0.8768 |
459 | 9BZ | 0.8767 |
460 | 4NG | 0.8766 |
461 | SOE | 0.8766 |
462 | FA0 | 0.8766 |
463 | E35 | 0.8765 |
464 | 86J | 0.8765 |
465 | MRW | 0.8764 |
466 | 9HX | 0.8763 |
467 | MVL | 0.8762 |
468 | 15L | 0.8760 |
469 | H7Y | 0.8760 |
470 | 32O | 0.8758 |
471 | HIO | 0.8758 |
472 | EVA | 0.8757 |
473 | PXM | 0.8756 |
474 | 6R8 | 0.8756 |
475 | REL | 0.8755 |
476 | 3AY | 0.8755 |
477 | G2H | 0.8753 |
478 | DFB | 0.8753 |
479 | P9P | 0.8751 |
480 | 6GU | 0.8751 |
481 | 42A | 0.8751 |
482 | ASP | 0.8750 |
483 | 7WA | 0.8749 |
484 | MFU | 0.8749 |
485 | DIN | 0.8749 |
486 | Q24 | 0.8747 |
487 | QPR | 0.8746 |
488 | WOO | 0.8745 |
489 | 24W | 0.8744 |
490 | CTL | 0.8744 |
491 | 9RH | 0.8743 |
492 | 6UA | 0.8743 |
493 | BP1 | 0.8743 |
494 | LZM | 0.8742 |
495 | 93K | 0.8741 |
496 | XX2 | 0.8740 |
497 | M1Q | 0.8740 |
498 | 6MP | 0.8740 |
499 | 790 | 0.8739 |
500 | OXQ | 0.8739 |
501 | 9TW | 0.8739 |
502 | XYP | 0.8738 |
503 | JZ4 | 0.8738 |
504 | BSX | 0.8738 |
505 | FBG | 0.8738 |
506 | 4MU | 0.8736 |
507 | 2XX | 0.8734 |
508 | XXR | 0.8733 |
509 | GCV | 0.8733 |
510 | DX4 | 0.8732 |
511 | FGZ | 0.8732 |
512 | C2Y | 0.8731 |
513 | 4M0 | 0.8731 |
514 | UEG | 0.8729 |
515 | ADZ | 0.8727 |
516 | 13X | 0.8727 |
517 | FBV | 0.8727 |
518 | PM6 | 0.8726 |
519 | 2HO | 0.8726 |
520 | QIC | 0.8725 |
521 | GRO | 0.8723 |
522 | X09 | 0.8723 |
523 | 8GK | 0.8723 |
524 | BZ3 | 0.8723 |
525 | RIP | 0.8722 |
526 | OTW | 0.8722 |
527 | M2K | 0.8721 |
528 | 1XA | 0.8721 |
529 | PRF | 0.8720 |
530 | AX2 | 0.8720 |
531 | AQO | 0.8720 |
532 | MD0 | 0.8720 |
533 | MO8 | 0.8719 |
534 | 25W | 0.8719 |
535 | SRT | 0.8717 |
536 | N8P | 0.8717 |
537 | IV2 | 0.8717 |
538 | 7ME | 0.8716 |
539 | HX3 | 0.8716 |
540 | AZ8 | 0.8715 |
541 | GOX | 0.8715 |
542 | M5N | 0.8711 |
543 | M5K | 0.8711 |
544 | 3C1 | 0.8710 |
545 | 7MH | 0.8709 |
546 | CN0 | 0.8709 |
547 | 6PC | 0.8708 |
548 | LMR | 0.8706 |
549 | NID | 0.8706 |
550 | 8G0 | 0.8705 |
551 | VC2 | 0.8705 |
552 | FH2 | 0.8704 |
553 | DGL | 0.8702 |
554 | 2DR | 0.8702 |
555 | Q7A | 0.8701 |
556 | 67X | 0.8700 |
557 | F9P | 0.8700 |
558 | B0D | 0.8699 |
559 | AJ2 | 0.8699 |
560 | PE0 | 0.8699 |
561 | 7VJ | 0.8699 |
562 | FE DB1 | 0.8698 |
563 | 5ZE | 0.8698 |
564 | AOS | 0.8698 |
565 | RPQ | 0.8698 |
566 | MEW | 0.8698 |
567 | FBU | 0.8697 |
568 | 0GZ | 0.8697 |
569 | SOR | 0.8697 |
570 | INS | 0.8697 |
571 | GCB | 0.8694 |
572 | VXX | 0.8693 |
573 | F05 | 0.8693 |
574 | MSN | 0.8692 |
575 | FBM | 0.8691 |
576 | 2A9 | 0.8691 |
577 | GYE | 0.8691 |
578 | DIU | 0.8689 |
579 | 3RK | 0.8688 |
580 | CFI | 0.8688 |
581 | HQD | 0.8687 |
582 | MT0 | 0.8687 |
583 | KBB | 0.8685 |
584 | 7N0 | 0.8685 |
585 | 2C2 | 0.8684 |
586 | GBD | 0.8683 |
587 | VK3 | 0.8682 |
588 | MLE | 0.8681 |
589 | ONR | 0.8681 |
590 | JZ3 | 0.8681 |
591 | WBU | 0.8681 |
592 | T6C | 0.8680 |
593 | 948 | 0.8680 |
594 | TMH | 0.8679 |
595 | KJU | 0.8677 |
596 | XXP | 0.8676 |
597 | MHK | 0.8676 |
598 | MZB | 0.8675 |
599 | 8XQ | 0.8675 |
600 | ES4 | 0.8675 |
601 | K6H | 0.8674 |
602 | OMD | 0.8674 |
603 | PAF | 0.8674 |
604 | HDL | 0.8674 |
605 | L3Q | 0.8674 |
606 | 9KH | 0.8673 |
607 | RSF | 0.8671 |
608 | JTH | 0.8671 |
609 | HZQ | 0.8671 |
610 | NDM | 0.8668 |
611 | GTZ | 0.8667 |
612 | ICF | 0.8667 |
613 | CHB | 0.8666 |
614 | MYJ | 0.8666 |
615 | SVN | 0.8665 |
616 | FDK | 0.8664 |
617 | CIZ | 0.8662 |
618 | GOO | 0.8662 |
619 | GTC | 0.8662 |
620 | R9Y | 0.8661 |
621 | TWO | 0.8659 |
622 | KPL | 0.8659 |
623 | 0F9 | 0.8658 |
624 | BEN | 0.8656 |
625 | XSP | 0.8656 |
626 | 2HQ | 0.8656 |
627 | MT5 | 0.8655 |
628 | HMH | 0.8655 |
629 | 82I | 0.8652 |
630 | 7UC | 0.8651 |
631 | 0FO | 0.8651 |
632 | 2FY | 0.8650 |
633 | 3U4 | 0.8650 |
634 | 60P | 0.8649 |
635 | XHP | 0.8648 |
636 | CTS | 0.8647 |
637 | EDR | 0.8645 |
638 | ES6 | 0.8644 |
639 | P22 | 0.8643 |
640 | 9PY | 0.8642 |
641 | ASN | 0.8642 |
642 | 12B | 0.8641 |
643 | GOG | 0.8640 |
644 | 61O | 0.8636 |
645 | LEU | 0.8634 |
646 | F81 | 0.8632 |
647 | 7WV | 0.8631 |
648 | M1E | 0.8631 |
649 | N8Y | 0.8629 |
650 | 0W1 | 0.8628 |
651 | 5ZZ | 0.8623 |
652 | NCA | 0.8620 |
653 | 5OB | 0.8620 |
654 | NTZ | 0.8620 |
655 | 44W | 0.8619 |
656 | 20J | 0.8617 |
657 | JKZ | 0.8616 |
658 | SOL | 0.8616 |
659 | HY3 | 0.8615 |
660 | IHB | 0.8615 |
661 | C2A | 0.8614 |
662 | BCU | 0.8614 |
663 | MJ2 | 0.8614 |
664 | KTA | 0.8614 |
665 | AH8 | 0.8613 |
666 | 9R5 | 0.8610 |
667 | DRL | 0.8609 |
668 | 28N | 0.8608 |
669 | 4A5 | 0.8607 |
670 | RJY | 0.8606 |
671 | 5XC | 0.8606 |
672 | I1N | 0.8605 |
673 | SVD | 0.8603 |
674 | PD2 | 0.8603 |
675 | XCZ | 0.8599 |
676 | HCA | 0.8597 |
677 | LYS | 0.8595 |
678 | A9O | 0.8595 |
679 | TBP | 0.8594 |
680 | 3PO | 0.8593 |
681 | JR2 | 0.8591 |
682 | L99 | 0.8590 |
683 | 8GL | 0.8589 |
684 | GZQ | 0.8589 |
685 | 4TE | 0.8586 |
686 | TSS | 0.8584 |
687 | UGC | 0.8576 |
688 | LRH | 0.8576 |
689 | MED | 0.8575 |
690 | XQ0 | 0.8574 |
691 | JIF | 0.8574 |
692 | P4B | 0.8570 |
693 | PH2 | 0.8570 |
694 | NZ2 | 0.8565 |
695 | HY1 | 0.8565 |
696 | 3ID | 0.8564 |
697 | CAX | 0.8559 |
698 | 7B3 | 0.8558 |
699 | R9S | 0.8555 |
700 | GNL | 0.8551 |
701 | LNR | 0.8547 |
702 | G6D | 0.8547 |
703 | NSG | 0.8543 |
704 | ABE | 0.8543 |
705 | 9UG | 0.8542 |
706 | 4SV | 0.8541 |
707 | NAG | 0.8534 |
708 | KIF | 0.8534 |
709 | X0W | 0.8532 |
710 | NBG | 0.8527 |
711 | ORN | 0.8522 |
712 | 7I2 | 0.8516 |
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 |