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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 | Similarity coefficient |
---|---|---|
1 | 7HV | 0.9911 |
2 | MFY | 0.9650 |
3 | 0V7 | 0.9640 |
4 | IJ1 | 0.9639 |
5 | 0H9 | 0.9500 |
6 | D53 | 0.9444 |
7 | JKK | 0.9224 |
8 | 0V8 | 0.9221 |
9 | 5HG | 0.9207 |
10 | 3CX | 0.9198 |
11 | 1Q2 | 0.9133 |
12 | BSA | 0.9103 |
13 | IJ6 | 0.9098 |
14 | 1Q1 | 0.9094 |
15 | 1HR | 0.9060 |
16 | IPL | 0.9043 |
17 | 0XR | 0.8996 |
18 | FZ3 | 0.8985 |
19 | IGP | 0.8964 |
20 | DTB | 0.8886 |
21 | HPZ | 0.8878 |
22 | S0B | 0.8867 |
23 | KWK | 0.8863 |
24 | RDV | 0.8862 |
25 | ZE7 | 0.8846 |
26 | S8G | 0.8845 |
27 | FIP | 0.8835 |
28 | JYN | 0.8834 |
29 | 0QA | 0.8829 |
30 | JCL | 0.8827 |
31 | HE1 | 0.8779 |
32 | 00G | 0.8761 |
33 | 4TX | 0.8758 |
34 | JXQ | 0.8753 |
35 | D9Q | 0.8730 |
36 | 27K | 0.8720 |
37 | P1J | 0.8718 |
38 | N9M | 0.8688 |
39 | ZYC | 0.8687 |
40 | HPK | 0.8675 |
41 | BZM | 0.8670 |
42 | 3KJ | 0.8641 |
43 | DA2 | 0.8639 |
44 | LVP | 0.8635 |
45 | ALJ | 0.8573 |
46 | OJD | 0.8515 |
This union binding pocket(no: 1) in the query (biounit: 5hct.bio1) has 80 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |