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- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 21 families. | |||||
1 | 1TC0 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
2 | 1U2O | - | NEC | C12 H16 N6 O4 | CCNC(=O)[C.... |
3 | 1TC6 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
4 | 1U0Z | - | RDC | C18 H17 Cl O6 | C[C@@H]1C[.... |
5 | 1TBW | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
6 | 6ASQ | - | VC4 | C22 H20 Cl N O4 | COC(=O)c1c.... |
7 | 1YT0 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
8 | 2EXL | - | GDM | C29 H40 N2 O9 | C[C@H]1C[C.... |
9 | 2GFD | Kd = 0.52 uM | RDA | C18 H18 Cl N O8 | COc1cc(c(c.... |
10 | 1QYE | - | CDY | C10 H12 Cl N5 O2 | c1nc2c(nc(.... |
11 | 6CYI | Kd = 9.1 uM | N5O | C12 H16 N6 O5 | c1nc(c2c(n.... |
12 | 1QY8 | - | RDI | C18 H23 Cl O6 | C[C@@H]1C[.... |
13 | 6D28 | Kd = 200 nM | NEC | C12 H16 N6 O4 | CCNC(=O)[C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 6GQU | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
2 | 1UY7 | ic50 > 200 uM | PU4 | C17 H21 N5 O | CCCCn1c(nc.... |
3 | 3B24 | Kd = 0.042 mM | B2J | C6 H10 N4 S | CCSc1nc(nc.... |
4 | 3EKR | Ki = 0.03 uM | PY9 | C18 H19 N O3 | Cc1ccccc1[.... |
5 | 5J9X | Kd = 0.000000064 M | 6GC | C20 H21 F N4 O4 | CCCCN(C)C(.... |
6 | 3R4N | Ki = 0.13 uM | FU5 | C15 H15 Cl F3 N3 O | Cc1cc(nc(n.... |
7 | 2YEG | - | XQG | C6 H6 N4 S | CSc1c2c([n.... |
8 | 3OWD | - | MEY | C24 H18 Cl N3 O5 S | c1ccc2c(c1.... |
9 | 5LNY | Kd = 42 nM | 70K | C25 H29 N5 O4 | CN(c1ccc(c.... |
10 | 3BMY | ic50 = 0.03 uM | CXZ | C19 H20 Cl N3 O4 | c1cc2c(cc1.... |
11 | 3VHD | Kd = 0.52 nM | VHE | C19 H23 N5 O2 S | Cc1cc(c2cc.... |
12 | 2XJJ | Kd = 0.31 uM | L81 | C19 H20 N2 O2 | CC1(CNc2c1.... |
13 | 2YE3 | - | VXX | C9 H10 O4 | COc1cc(ccc.... |
14 | 6GPH | - | A12 | C11 H17 N5 O9 P2 | c1nc(c2c(n.... |
15 | 6EL5 | Kd = 0.000000064 M | PU1 | C20 H21 Cl F N5 O3 | COc1cc(c(c.... |
16 | 1UY8 | ic50 = 75 uM | PU5 | C17 H21 N5 O | CCCCn1c(nc.... |
17 | 3T10 | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
18 | 4CWR | Ki = 0.005 uM | HAJ | C17 H12 F N5 O2 | c1cc2c(c(c.... |
19 | 3EKO | Ki = 0.2 uM | PYU | C11 H9 N O4 | c1ccn(c1)C.... |
20 | 4XIP | Ki = 235 nM | 40W | C18 H20 N2 O2 | Cc1cn(c2c1.... |
21 | 1UYE | ic50 > 200 uM | PU9 | C20 H22 Cl N5 O3 | COc1cc(c(c.... |
22 | 4O07 | Ki = 0.042 uM | FGH | C27 H35 N3 O2 | CC(C)Cc1cc.... |
23 | 2JJC | - | LGA | C4 H5 N3 | c1cnc(nc1).... |
24 | 2YI5 | Kd = 39 nM | YI5 | C16 H13 Cl N2 O4 S | COc1ccc(cc.... |
25 | 1UY9 | ic50 = 15.3 uM | PU6 | C17 H19 N5 O2 | CCCCn1c(nc.... |
26 | 6EI5 | Kd = 3.83 nM | B5Q | C25 H23 N5 O | CNCc1ccccc.... |
27 | 3OWB | - | BSM | C19 H18 Cl N3 O4 | CCNC(=O)c1.... |
28 | 2YKB | - | YKB | C23 H19 N5 O2 | c1ccc2c(c1.... |
29 | 2QG2 | Ki = 4 uM | A91 | C17 H15 N5 O2 | Cc1cc(nc(n.... |
30 | 4B7P | Kd = 0.346 nM | 9UN | C22 H22 N4 O7 | CN1CCC(CC1.... |
31 | 4EFT | ic50 = 85 uM | EFT | C16 H19 N3 O | c1cc2c(cc1.... |
32 | 2WI6 | ic50 = 0.23 uM | ZZ6 | C15 H12 Cl2 N4 O S | CCNC(=O)c1.... |
33 | 2YEH | - | 2KU | C9 H13 N5 O | COCCCNc1c2.... |
34 | 6GR5 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
35 | 4L94 | - | S46 | C12 H16 N2 O2 | CN1CCN(CC1.... |
36 | 6GPP | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
37 | 2YKE | - | YKE | C29 H19 N5 O | c1cc(c2ccc.... |
38 | 4O04 | Ki = 0.69 uM | 2Q8 | C21 H25 N3 O2 | CC1(Cc2c(c.... |
39 | 2YE5 | - | 2A7 | C7 H8 O3 | COc1cc(cc(.... |
40 | 3FT5 | ic50 = 15 uM | MO8 | C8 H11 N3 S | Cc1c2c(nc(.... |
41 | 2XDU | - | LGA | C4 H5 N3 | c1cnc(nc1).... |
42 | 2YEB | - | 2K4 | C7 H6 N2 O | c1cc2cn[nH.... |
43 | 3B26 | Kd = 0.23 uM | B2L | C17 H15 N3 O | Cc1cc(nc(n.... |
44 | 4XIQ | Ki = 86 nM | 40Y | C20 H22 N2 O3 | Cc1c2n(c3c.... |
45 | 3T0Z | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
46 | 6GQS | - | A12 | C11 H17 N5 O9 P2 | c1nc(c2c(n.... |
47 | 4L8Z | ic50 = 18.7 uM | RL1 | C22 H17 Br N4 O3 | c1ccc2c(c1.... |
48 | 2YK9 | - | YK9 | C19 H11 N3 O | c1ccc2c(c1.... |
49 | 6EYA | Kd = 33 nM | C4K | C24 H21 N3 O4 | Cc1cccc(c1.... |
50 | 5M4H | - | 7FX | C14 H12 F3 N3 O3 | c1cc(c(cc1.... |
51 | 4AWQ | ic50 = 479 nM | 592 | C29 H32 N4 O3 | Cc1c(cccc1.... |
52 | 2VCJ | ic50 = 0.021 uM | 2EQ | C23 H24 Cl N3 O5 | CCNC(=O)c1.... |
53 | 3RLR | Ki = 0.03 uM | 3RR | C16 H12 Cl2 N4 O | Cc1c(c2c(n.... |
54 | 2XDX | Kd = 0.35 uM | WOE | C11 H10 Cl N3 O | COc1ccccc1.... |
55 | 6ELO | Kd = 0.000000064 M | BAW | C18 H17 F N2 O2 | CCc1cc(c(c.... |
56 | 3HEK | Ki = 5.4 nM | BD0 | C22 H24 Cl F2 N2 O3 | c1cc(ccc1C.... |
57 | 2XHT | Kd = 1.1 uM | C0Y | C15 H21 N O3 | CC(C)(C)c1.... |
58 | 2YEE | - | 2EC | C7 H9 N5 | CCn1cnc2c1.... |
59 | 3K98 | Ki < 1 nM | 1RC | C18 H17 Cl N2 O4 | CCNC(=O)[C.... |
60 | 3INX | ic50 = 0.022 uM | JZC | C24 H30 N2 O6 | c1c(cc(c2c.... |
61 | 2WI3 | ic50 = 350 uM | ZZ3 | C5 H8 N4 S | Cc1nc(nc(n.... |
62 | 3B27 | Kd = 6.9 uM | B2T | C10 H9 Cl N4 S | CSc1nc(nc(.... |
63 | 4BQG | - | 50Q | C12 H8 Cl2 O3 | c1cc(c(cc1.... |
64 | 1UYD | ic50 > 200 uM | PU8 | C19 H24 Cl N5 O3 | CCCCn1c(nc.... |
65 | 2FWZ | ic50 = 50 nM | H71 | C18 H21 I N6 O2 S | CC(C)NCCCn.... |
66 | 2BYI | ic50 = 0.461 uM | 2DD | C17 H15 Cl N4 O5 S | c1cc(ccc1C.... |
67 | 4XIT | Ki = 41 nM | 40Z | C25 H26 Cl N3 O3 | Cc1c2n(c3c.... |
68 | 3VHA | Kd = 40 nM | VHA | C21 H21 N3 O2 S | Cc1ccc2cc1.... |
69 | 6U98 | Ki = 378 nM | Q2D | C25 H24 F I N6 O4 S2 | c1cc(cc(c1.... |
70 | 5J8U | Kd = 0.000000064 M | 6DL | C14 H9 Br F N3 O3 | c1ccc(c(c1.... |
71 | 5J6N | - | 6FF | C18 H19 F N4 O5 S | CCCN(C)S(=.... |
72 | 5FNC | Kd = 77 uM | IEE | C12 H13 Cl N4 | Cc1ccc(cc1.... |
73 | 5J6M | Kd = 0.000000064 M | 6FJ | C21 H17 F N4 O5 | CN(Cc1ccco.... |
74 | 1UYG | ic50 = 53.5 uM | PU2 | C14 H14 F N5 O2 | COc1ccc(c(.... |
75 | 3D0B | Kd = 0.29 uM | SNX | C22 H23 N3 O3 | COCCNc1cc(.... |
76 | 2WI4 | ic50 = 1.56 uM | ZZ4 | C16 H11 Cl2 N5 | c1ccc(cc1).... |
77 | 2YEJ | - | XQK | C9 H9 N3 O3 | Cc1c(c([nH.... |
78 | 4AWO | ic50 = 24 nM | 99B | C29 H37 N5 O3 | CC[C@@H](C.... |
79 | 1UYI | ic50 = 4.1 uM | PUZ | C19 H20 F N5 O2 | COc1ccc(c(.... |
80 | 1BYQ | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
81 | 1UY6 | ic50 > 200 uM | PU3 | C19 H25 N5 O3 | CCCCn1c(nc.... |
82 | 4CWF | Ki = 32.4 uM | H05 | C12 H13 N5 | CCCc1nc2cc.... |
83 | 4W7T | ic50 = 0.9 uM | 3JC | C15 H15 N3 O | Cc1c2c(nc(.... |
84 | 2XJX | Kd = 0.71 nM | XJX | C24 H31 N3 O3 | CC(C)c1cc(.... |
85 | 4AWP | ic50 = 81 nM | 99A | C30 H33 N5 O3 | Cc1cc(c(cc.... |
86 | 2XJG | Kd = 0.015 uM | XJG | C19 H21 N O3 | CC(C)c1cc(.... |
87 | 4CWT | Ki = 0.179 uM | IK9 | C19 H17 F N6 O3 | c1cc2c(cc1.... |
88 | 6CYG | Kd = 68 uM | N5O | C12 H16 N6 O5 | c1nc(c2c(n.... |
89 | 4O09 | Ki = 0.02 uM | 2R6 | C24 H30 N2 O2 | Cc1cn(c2c1.... |
90 | 2BT0 | ic50 = 5.7 uM | CT5 | C20 H20 N2 O4 | CCc1cc(c(c.... |
91 | 2QG0 | Ki = 1.9 uM | A94 | C17 H19 N5 O4 S | Cc1cc(nc(n.... |
92 | 2XK2 | Kd = 10 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
93 | 6HHR | - | G5E | C14 H10 F N3 O2 S | c1ccc(c(c1.... |
94 | 3R91 | ic50 = 0.092 uM | 06H | C25 H32 N4 O3 | Cc1c2n(c3c.... |
95 | 2CCS | ic50 = 2 uM | 4BH | C13 H15 Cl N4 O2 | c1c(c(cc(c.... |
96 | 2YKJ | - | YKJ | C25 H18 N6 O | c1ccc2c(c1.... |
97 | 6OLX | Kd = 4.15 uM | KFY | C19 H23 N5 O3 | C/C=C/Cn1c.... |
98 | 6GPY | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
99 | 5OCI | Kd = 9 nM | 9R8 | C27 H28 N4 O3 | Cc1cccc(c1.... |
100 | 4FCP | - | 42C | C7 H9 N5 | CN(C)c1c2c.... |
101 | 5J2X | Kd = 0.000000064 M | 6DL | C14 H9 Br F N3 O3 | c1ccc(c(c1.... |
102 | 3WHA | Kd = 0.48 nM | WHA | C19 H18 Cl N5 O2 S | c1cc2c3c(c.... |
103 | 6GR3 | - | AN2 | C10 H16 N6 O9 P2 | c1nc(c2c(n.... |
104 | 6EY8 | Kd = 1.55 uM | C4T | C23 H20 Cl N3 O2 | CN(Cc1ccc(.... |
105 | 2YEA | - | 2A9 | C8 H10 O3 | COc1ccc(cc.... |
106 | 2YI7 | Kd = 4.8 nM | BZ8 | C16 H13 Cl N2 O3 S | CCOc1ccc(c.... |
107 | 2YE2 | - | XQI | C9 H10 O4 | COC(=O)Cc1.... |
108 | 6F1N | Kd = 0.000000064 M | C8W | C20 H19 N5 O5 S | COc1ccc(cc.... |
109 | 4CWO | Ki = 6.1 uM | T62 | C16 H13 N5 O2 | c1ccc2c(c1.... |
110 | 5J8M | Kd = 0.000000064 M | 6DL | C14 H9 Br F N3 O3 | c1ccc(c(c1.... |
111 | 4U93 | ic50 = 0.013 uM | 990 | C20 H18 F N5 O2 | Cc1c2c(nc(.... |
112 | 4CWS | Ki = 0.012 uM | G3R | C19 H18 N6 O3 | c1cc2c(cc1.... |
113 | 2BYH | ic50 = 0.258 uM | 2D7 | C18 H14 Cl N3 O4 | CC(=O)c1cc.... |
114 | 4EGI | ic50 = 150 uM | B2J | C6 H10 N4 S | CCSc1nc(nc.... |
115 | 1OSF | - | KOS | C32 H48 N4 O8 | C[C@H]1C[C.... |
116 | 3K97 | Ki = 10 nM | 4CD | C18 H18 Cl N O3 | Cc1ccccc1[.... |
117 | 2YED | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
118 | 6CEO | - | D57 | C22 H22 N2 O6 | COC(=O)c1c.... |
119 | 2YKC | - | YKC | C25 H17 N5 O | c1ccc2c(c1.... |
120 | 6GPT | - | A12 | C11 H17 N5 O9 P2 | c1nc(c2c(n.... |
121 | 5VYY | Kd = 0.62 uM | 9QY | C20 H19 Cl N2 O4 | COC(=O)c1c.... |
122 | 2WI2 | ic50 = 350 uM | ZZ3 | C5 H8 N4 S | Cc1nc(nc(n.... |
123 | 6GPF | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
124 | 2YE7 | - | 2GA | C8 H10 N4 S3 | Cc1c(c(n[n.... |
125 | 1UYF | ic50 = 30 uM | PU1 | C20 H21 Cl F N5 O3 | COc1cc(c(c.... |
126 | 3VHC | Kd = 1.3 nM | VHC | C22 H22 N4 O2 S | Cc1cc(c2cc.... |
127 | 2YK2 | - | YJX | C18 H14 N4 O | c1ccc2c(c1.... |
128 | 5J64 | Kd = 0.000000064 M | 6G7 | C14 H10 F N3 O3 | c1ccc(c(c1.... |
129 | 2XHR | Kd = 0.0048 uM | C0P | C16 H17 Cl3 N4 O2 | c1c(c(cc(c.... |
130 | 3R92 | ic50 = 0.883 uM | 06J | C26 H34 N4 O2 | Cc1c2n(c3c.... |
131 | 2CCT | ic50 = 6.3 uM | 2E1 | C16 H20 Cl N5 O3 | CCNC(=O)c1.... |
132 | 4XIR | Ki = 115 nM | 40X | C23 H27 Cl N2 O3 | CCC[C@H]1C.... |
133 | 4CWN | Ki = 2.6 uM | 6LV | C18 H17 N5 O2 | COc1cc(cc(.... |
134 | 1YET | - | GDM | C29 H40 N2 O9 | C[C@H]1C[C.... |
135 | 3QDD | Ki = 1.7 nM | 94M | C14 H15 Cl N6 O | Cc1cnc(c(c.... |
136 | 6GPO | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
137 | 2H55 | - | DZ8 | C19 H22 F I N6 O2 | CC(C)NCCCn.... |
138 | 1UYK | ic50 = 17.1 uM | PUX | C17 H18 F N5 O2 | CCCCn1c(nc.... |
139 | 2XDS | - | MT0 | C9 H7 Cl N2 | Cc1c2ccccc.... |
140 | 2WI1 | ic50 > 4000 uM | ZZ2 | C8 H13 N3 O2 | Cc1cc(nc(n.... |
141 | 4FCR | Kd = 0.4 nM | 0TM | C19 H18 Cl N5 O3 S | CN(C)C(=O).... |
142 | 5FNF | Kd = 700 uM | TQL | C12 H10 N2 O3 | c1cc(cnc1).... |
143 | 5J27 | Kd = 0.000000064 M | 6FF | C18 H19 F N4 O5 S | CCCN(C)S(=.... |
144 | 2YEC | - | XQ0 | C8 H8 N2 O | Cc1c2ccc(c.... |
145 | 4CWQ | Ki = 0.088 uM | W2D | C17 H14 N6 O4 S | c1cc2c(cc1.... |
146 | 2YE4 | - | 2FY | C9 H10 O3 | CCC(=O)c1c.... |
147 | 2BSM | ic50 = 1.5 uM | BSM | C19 H18 Cl N3 O4 | CCNC(=O)c1.... |
148 | 2YKI | Kd = 0.35 nM | YKI | C27 H18 N6 O | c1ccc2c(c1.... |
149 | 3RLQ | Ki = 0.04 uM | 3RQ | C15 H10 Cl2 N4 O | Cc1nc(c2c(.... |
150 | 3MNR | - | SD1 | C27 H31 N3 O5 | Cc1cc2c(n1.... |
151 | 3K99 | Ki = 60 nM | PFT | C15 H13 N O3 | c1ccc2c(c1.... |
152 | 5LNZ | - | 70Z | C25 H31 N5 O4 | CCCCN(C)C(.... |
153 | 5J20 | Kd = 0.000000064 M | 6FJ | C21 H17 F N4 O5 | CN(Cc1ccco.... |
154 | 6GQR | - | APC | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
155 | 6U9A | Ki = 164 nM | Q2A | C25 H24 F I N6 O4 S2 | c1cc(cc(c1.... |
156 | 2YEF | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
157 | 3B28 | Kd = 0.0034 uM | B2X | C16 H13 Cl N4 O S | CSc1nc(nc(.... |
158 | 3R4P | Ki = 0.011 uM | FU7 | C21 H21 Cl2 F2 N7 O2 | CC(CNC(=O).... |
159 | 4NH8 | Ki = 3 nM | 2LC | C22 H26 F N3 O3 | Cc1cn(c2c1.... |
160 | 6ELN | Kd = 0.000000064 M | P4A | C17 H16 N2 O3 | Cc1c(c(n[n.... |
161 | 2XDK | Kd = 250 uM | XDK | C9 H8 N4 | c1cc(cnc1).... |
162 | 2VCI | ic50 = 0.021 uM | 2GJ | C26 H31 N3 O5 | CCNC(=O)c1.... |
163 | 6CYH | Kd = 708 uM | N5A | C12 H17 N7 O4 | c1nc(c2c(n.... |
164 | 5M4E | - | 7F9 | C18 H20 N2 O5 | CCNC(=O)CN.... |
165 | 3QTF | ic50 = 0.11 uM | 05S | C24 H32 N4 O2 | Cc1c2n(c3c.... |
166 | 6EYB | Kd = 4.22 uM | C3Z | C23 H18 N4 O | c1ccc(cc1).... |
167 | 2WI5 | ic50 = 0.9 uM | ZZ5 | C17 H15 N5 O2 S | CCOc1ccc(c.... |
168 | 2XAB | Kd = 0.54 nM | VHD | C18 H19 N O3 | CC(C)c1cc(.... |
169 | 2UWD | Kd = 4.5 nM | 2GG | C19 H17 Cl N2 O5 | CCNC(=O)c1.... |
170 | 1UYH | ic50 = 14.3 uM | PU0 | C18 H22 F N5 O2 | CCCCn1c(nc.... |
171 | 6GP8 | - | APC | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
172 | 2XDL | Kd = 790 uM | 2DL | C12 H17 N O3 | CCN(CC)C(=.... |
173 | 5J82 | Kd = 0.000000064 M | 6GV | C18 H19 F N4 O5 S | CC(C)N(C)S.... |
174 | 4L91 | - | X29 | C12 H7 Br Cl N3 O2 | c1cc2nnc(n.... |
175 | 6GR1 | - | APC | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
176 | 6GQ6 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
177 | 3RKZ | ic50 = 0.083 uM | 06T | C28 H39 N5 O3 | Cc1c2n(c3c.... |
178 | 5LO0 | - | 70N | C28 H26 F2 N6 O3 S | CN1CCN(CC1.... |
179 | 4EEH | ic50 = 45 uM | HH6 | C13 H10 N2 O2 | c1cc(ccc1c.... |
180 | 2YE8 | - | 2D3 | C9 H9 N3 O3 | Cc1c(c(n[n.... |
181 | 2YI6 | - | 6QM | C18 H18 N2 O3 S | CCc1cc(c(c.... |
182 | 2YJX | - | YJX | C18 H14 N4 O | c1ccc2c(c1.... |
183 | 4CWP | Ki = 0.17 uM | TV2 | C17 H13 N5 O2 | c1ccc2c(c1.... |
184 | 4NH7 | Ki = 4 nM | E0G | C23 H27 F3 N4 O3 | CC1(Cc2c(c.... |
185 | 6EY9 | Kd = 1.24 uM | C4N | C24 H22 Cl N3 O2 | Cc1cccc(c1.... |
186 | 4EFU | ic50 = 0.25 uM | EFU | C24 H23 N3 O2 | Cc1cccc(c1.... |
187 | 5NYH | Kd = 18.7 nM | 9EK | C24 H27 N5 O4 | CN(c1ccc(c.... |
188 | 2YJW | - | YJW | C16 H13 N O3 | Cc1c(c(no1.... |
189 | 4O05 | Ki = 0.037 uM | 2Q9 | C26 H34 N4 O2 | CC(C)Nc1cc.... |
190 | 3B25 | Kd = 0.86 uM | B2K | C12 H13 N3 O2 S | Cc1ccc(cc1.... |
191 | 3OW6 | - | MEX | C13 H10 N2 O3 | c1ccc2c(c1.... |
192 | 3FT8 | ic50 = 0.03 uM | MOJ | C20 H18 F N5 O | Cc1c2c(nc(.... |
193 | 4EGH | ic50 = 550 uM | 0OY | C11 H13 N O3 | c1cc(ccc1C.... |
194 | 5ZR3 | ic50 = 98 nM | 9J0 | C24 H24 N8 O | Cc1cc(ccc1.... |
195 | 3INW | ic50 = 0.039 uM | JZB | C24 H29 Cl N2 O6 | c1c(c2c(c(.... |
196 | 3HHU | ic50 = 41 nM | 819 | C21 H24 N4 O4 S | CCOC(=O)NC.... |
197 | 6GPR | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
198 | 6N8X | Kd = 2 uM | KFY | C19 H23 N5 O3 | C/C=C/Cn1c.... |
199 | 4BQJ | - | XKL | C18 H15 N3 O7 | CCNC(=O)c1.... |
200 | 4O0B | Ki = 0.005 uM | 2QA | C25 H30 N2 O2 | Cc1cn(c2c1.... |
201 | 4JQL | ic50 = 1 uM | VJ6 | C28 H41 N3 O9 | C[C@H]1/C=.... |
202 | 1UYC | ic50 = 41 uM | PU7 | C18 H23 N5 O2 | CCCCn1c(nc.... |
203 | 2YE9 | - | 2D4 | C20 H15 N O4 S2 | c1ccc2c(c1.... |
204 | 2FWY | ic50 = 200 nM | H64 | C18 H21 Br N6 O2 S | CC(C)NCCCn.... |
205 | 3R4M | Ki = 1.2 uM | WOE | C11 H10 Cl N3 O | COc1ccccc1.... |
206 | 6ELP | Kd = 0.000000064 M | BA8 | C22 H18 Cl N3 O2 | c1ccc(c(c1.... |
207 | 5J86 | Kd = 0.000000064 M | 6GW | C22 H20 N4 O4 S | Cc1ccccc1N.... |
208 | 4EGK | Kd = 19 nM | RDC | C18 H17 Cl O6 | C[C@@H]1C[.... |
209 | 5FND | Kd = 320 uM | IQ5 | C10 H11 N3 O S | Cc1cc2c(cc.... |
210 | 3BM9 | ic50 = 0.19 uM | BXZ | C13 H8 Br N O4 | c1cc2c(cc1.... |
211 | 4FCQ | Kd = 0.156 uM | 2N6 | C16 H14 N4 S | Cc1ccc(c(c.... |
212 | 5GGZ | ic50 = 0.056 uM | 6TN | C19 H23 N3 O4 | CCOc1ncc2c.... |
213 | 1TC0 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
214 | 1U2O | - | NEC | C12 H16 N6 O4 | CCNC(=O)[C.... |
215 | 1TC6 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
216 | 1U0Z | - | RDC | C18 H17 Cl O6 | C[C@@H]1C[.... |
217 | 1TBW | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
218 | 6ASQ | - | VC4 | C22 H20 Cl N O4 | COC(=O)c1c.... |
219 | 1YT0 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
220 | 2EXL | - | GDM | C29 H40 N2 O9 | C[C@H]1C[C.... |
221 | 2GFD | Kd = 0.52 uM | RDA | C18 H18 Cl N O8 | COc1cc(c(c.... |
222 | 2YI0 | Kd = 7.5 nM | YI0 | C15 H11 Cl N2 O3 S | COc1ccc(cc.... |
223 | 2QFO | Kd = 20 uM | A13 | C6 H6 F3 N3 | Cc1cc(nc(n.... |
224 | 2WI7 | ic50 = 0.058 uM | 2KL | C21 H23 Cl2 N5 O2 S | CCNC(=O)c1.... |
225 | 2YEI | - | XQK | C9 H9 N3 O3 | Cc1c(c([nH.... |
226 | 5J6L | Kd = 0.000000064 M | 6GC | C20 H21 F N4 O4 | CCCCN(C)C(.... |
227 | 5ODX | Kd = 195 nM | 9RZ | C26 H31 N5 O5 | CN(c1ccc(c.... |
228 | 3RLP | Kd = 0.084 uM | 3RP | C12 H11 Cl2 N3 O | Cc1cc(nc(n.... |
229 | 2IOR | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
230 | 4XDM | - | GDM | C29 H40 N2 O9 | C[C@H]1C[C.... |
231 | 4XC0 | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
232 | 4XCJ | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
233 | 4XCL | - | AGS | C10 H16 N5 O12 P3 S | c1nc(c2c(n.... |
234 | 4XD8 | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
235 | 1QYE | - | CDY | C10 H12 Cl N5 O2 | c1nc2c(nc(.... |
236 | 6CYI | Kd = 9.1 uM | N5O | C12 H16 N6 O5 | c1nc(c2c(n.... |
237 | 1QY8 | - | RDI | C18 H23 Cl O6 | C[C@@H]1C[.... |
238 | 6D28 | Kd = 200 nM | NEC | C12 H16 N6 O4 | CCNC(=O)[C.... |
239 | 6N8Y | Kd = 4.2 uM | KFY | C19 H23 N5 O3 | C/C=C/Cn1c.... |
240 | 3NMQ | - | 7PP | C21 H24 Cl N5 O2 | Cc1cnc(c(c.... |
241 | 5UCJ | Kd = 0.44 uM | KU3 | C19 H17 F N2 O3 | CC(C)c1cc(.... |
242 | 1UYM | - | PU3 | C19 H25 N5 O3 | CCCCn1c(nc.... |
243 | 5UC4 | Kd = 0.35 uM | 83S | C19 H19 N O3 | CC(C)c1cc(.... |
244 | 2BRC | ic50 = 7.1 uM | CT5 | C20 H20 N2 O4 | CCc1cc(c(c.... |
245 | 4CE3 | - | L4V | C18 H22 Cl N O4 | CN1CCC/C=C.... |
246 | 2VW5 | Kd = 3 nM | BC6 | C28 H42 N2 O6 | C[C@H]1CCC.... |
247 | 4ASA | - | 59C | C32 H45 N3 O8 | C[C@H]1C[C.... |
248 | 1BGQ | Kd = 2.7 nM | RDC | C18 H17 Cl O6 | C[C@@H]1C[.... |
249 | 2XX2 | - | 13C | C17 H20 Cl N O4 | c1c(c2c(c(.... |
250 | 2WEP | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
251 | 2WER | Kd = 90 nM | RDC | C18 H17 Cl O6 | C[C@@H]1C[.... |
252 | 2YGA | Kd = 24.5 uM | GDM | C29 H40 N2 O9 | C[C@H]1C[C.... |
253 | 2FXS | Kd = 0.87 uM | RDA | C18 H18 Cl N O8 | COc1cc(c(c.... |
254 | 2XX4 | - | 13I | C20 H26 Cl N O6 | CCO[C@H]([.... |
255 | 1AM1 | Kd = 132 mM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
256 | 2XD6 | ic50 = 0.65 uM | XD6 | C18 H19 Cl O6 | c1c(c2c(c(.... |
257 | 2CGF | Kd = 0.39 uM | P2N | C17 H19 Cl O5 | c1c(c2c(c(.... |
258 | 1AMW | Kd = 29 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
259 | 4ASG | - | 814 | C35 H44 N2 O9 | C[C@H]1C[C.... |
260 | 1A4H | - | GDM | C29 H40 N2 O9 | C[C@H]1C[C.... |
261 | 4CE2 | - | BO5 | C19 H24 Cl N O4 | CN1CC/C=C/.... |
262 | 2BRE | ic50 < 1 uM | KJ2 | C18 H18 Cl N3 O3 | c1cc(ccc1c.... |
263 | 2IWX | Kd = 0.21 uM | M1S | C18 H21 Cl O5 | c1c(c2c(c(.... |
264 | 2XX5 | - | 13N | C25 H27 Cl N2 O5 | c1ccc(cc1).... |
265 | 2YGF | Kd ~ 10 uM | GDM | C29 H40 N2 O9 | C[C@H]1C[C.... |
266 | 2VWC | Kd = 0.24 uM | BC2 | C30 H42 N2 O8 | C[C@H]1C[C.... |
267 | 4CE1 | - | 7FK | C20 H26 Cl N O4 | CN1CC/C=C/.... |
268 | 2WEQ | Kd = 1.27 uM | GDM | C29 H40 N2 O9 | C[C@H]1C[C.... |
269 | 2YGE | Kd = 8.62 uM | GDM | C29 H40 N2 O9 | C[C@H]1C[C.... |
270 | 6CJS | - | 2GJ | C26 H31 N3 O5 | CCNC(=O)c1.... |
271 | 6CJL | - | RDC | C18 H17 Cl O6 | C[C@@H]1C[.... |
272 | 6CJR | - | E0G | C23 H27 F3 N4 O3 | CC1(Cc2c(c.... |
273 | 6CJJ | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
274 | 3K60 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
275 | 7C04 | ic50 = 1.983 uM | FEU | C14 H11 Cl F3 N5 O | COc1cc(ccc.... |
276 | 5F5R | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
277 | 1YC3 | Kd = 0.68 uM | 4BC | C19 H16 N2 O6 | CCc1cc(c(c.... |
278 | 1YC4 | Kd = 0.28 uM | 43P | C14 H14 N4 O2 | CCc1cc(c(c.... |
279 | 1YC1 | Kd = 0.68 uM | 4BC | C19 H16 N2 O6 | CCc1cc(c(c.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GNG | 0.9718 |
2 | MDR | 0.9538 |
3 | 2FD | 0.9463 |
4 | 8HG | 0.9454 |
5 | AC2 | 0.9451 |
6 | 6CR | 0.9442 |
7 | 4UO | 0.9440 |
8 | 5AD | 0.9434 |
9 | IMG | 0.9418 |
10 | GMP | 0.9413 |
11 | A4D | 0.9387 |
12 | 3AD | 0.9380 |
13 | ADN | 0.9378 |
14 | H7S | 0.9336 |
15 | 3D1 | 0.9330 |
16 | THM | 0.9315 |
17 | HPR | 0.9299 |
18 | 5F1 | 0.9281 |
19 | 1DA | 0.9280 |
20 | ZYV | 0.9270 |
21 | 2FA | 0.9255 |
22 | PRH | 0.9255 |
23 | A | 0.9246 |
24 | TBN | 0.9245 |
25 | RAB | 0.9245 |
26 | NOS | 0.9243 |
27 | AD3 | 0.9241 |
28 | 0DN | 0.9239 |
29 | DCF | 0.9233 |
30 | UA2 | 0.9199 |
31 | 5MD | 0.9196 |
32 | GA2 | 0.9186 |
33 | PUR | 0.9178 |
34 | HWH | 0.9171 |
35 | ASE | 0.9170 |
36 | MG7 | 0.9167 |
37 | IMH | 0.9162 |
38 | 5CD | 0.9152 |
39 | TRP | 0.9152 |
40 | ML1 | 0.9149 |
41 | HBI | 0.9146 |
42 | 8OX | 0.9142 |
43 | CFE | 0.9134 |
44 | MTA | 0.9133 |
45 | 5UD | 0.9123 |
46 | TMC | 0.9122 |
47 | 2UD | 0.9118 |
48 | 7D7 | 0.9114 |
49 | DBM | 0.9107 |
50 | FMB | 0.9096 |
51 | XYA | 0.9095 |
52 | DTE | 0.9083 |
53 | H4B | 0.9081 |
54 | CC5 | 0.9078 |
55 | 5NB | 0.9075 |
56 | 3L1 | 0.9070 |
57 | BC3 | 0.9068 |
58 | 13A | 0.9065 |
59 | B86 | 0.9062 |
60 | 5ID | 0.9054 |
61 | 3BH | 0.9053 |
62 | EKH | 0.9053 |
63 | A4V | 0.9053 |
64 | 6MD | 0.9037 |
65 | FMC | 0.9032 |
66 | 5FD | 0.9023 |
67 | SNI | 0.9023 |
68 | F01 | 0.9018 |
69 | 1Q4 | 0.9017 |
70 | AJ4 | 0.9017 |
71 | MCY | 0.9014 |
72 | EXX | 0.9009 |
73 | 92O | 0.9005 |
74 | CTE | 0.9004 |
75 | 9DI | 0.9001 |
76 | NIP | 0.9000 |
77 | ARJ | 0.8998 |
78 | NOC | 0.8998 |
79 | RFZ | 0.8995 |
80 | NWW | 0.8993 |
81 | 5I5 | 0.8992 |
82 | 57D | 0.8992 |
83 | ID2 | 0.8991 |
84 | 5N5 | 0.8991 |
85 | M1D | 0.8985 |
86 | Q5M | 0.8980 |
87 | MTP | 0.8977 |
88 | FTU | 0.8972 |
89 | BB4 | 0.8968 |
90 | OX2 | 0.8966 |
91 | HVE | 0.8958 |
92 | DUR | 0.8950 |
93 | Y3J | 0.8947 |
94 | KWB | 0.8947 |
95 | NEU | 0.8945 |
96 | FM2 | 0.8938 |
97 | H2B | 0.8937 |
98 | SCT | 0.8930 |
99 | LLT | 0.8927 |
100 | ET0 | 0.8926 |
101 | 78P | 0.8926 |
102 | 6ZW | 0.8925 |
103 | M02 | 0.8924 |
104 | HRM | 0.8922 |
105 | NWD | 0.8918 |
106 | MPU | 0.8917 |
107 | MUX | 0.8915 |
108 | TR7 | 0.8914 |
109 | IM5 | 0.8914 |
110 | B5A | 0.8912 |
111 | ITW | 0.8912 |
112 | 3Y7 | 0.8911 |
113 | 8DA | 0.8904 |
114 | DCZ | 0.8903 |
115 | M01 | 0.8900 |
116 | Q9T | 0.8896 |
117 | ETV | 0.8895 |
118 | FWD | 0.8890 |
119 | 4VT | 0.8884 |
120 | G6P | 0.8884 |
121 | 3IB | 0.8884 |
122 | CWD | 0.8881 |
123 | 6J9 | 0.8879 |
124 | BWD | 0.8878 |
125 | JXQ | 0.8877 |
126 | 3JC | 0.8876 |
127 | X0T | 0.8871 |
128 | PE2 | 0.8868 |
129 | KF5 | 0.8867 |
130 | 4AB | 0.8859 |
131 | IWD | 0.8859 |
132 | KMP | 0.8856 |
133 | KLV | 0.8853 |
134 | DTR | 0.8841 |
135 | IOS | 0.8841 |
136 | BIO | 0.8840 |
137 | MCF | 0.8839 |
138 | 2L2 | 0.8838 |
139 | 1QP | 0.8837 |
140 | G30 | 0.8834 |
141 | CHQ | 0.8833 |
142 | XTS | 0.8833 |
143 | FM1 | 0.8830 |
144 | 26A | 0.8828 |
145 | 3AK | 0.8826 |
146 | NEO | 0.8825 |
147 | 9E3 | 0.8824 |
148 | NIY | 0.8822 |
149 | ZYW | 0.8821 |
150 | B4O | 0.8816 |
151 | RPP | 0.8815 |
152 | Z25 | 0.8815 |
153 | EXG | 0.8807 |
154 | 39Z | 0.8805 |
155 | 5WS | 0.8803 |
156 | 1KX | 0.8802 |
157 | AHU | 0.8801 |
158 | 2WU | 0.8801 |
159 | CMP | 0.8799 |
160 | MTH | 0.8795 |
161 | ZJB | 0.8795 |
162 | H35 | 0.8787 |
163 | 0FR | 0.8777 |
164 | I2E | 0.8775 |
165 | BVD | 0.8775 |
166 | 5E5 | 0.8773 |
167 | ZEZ | 0.8773 |
168 | A7K | 0.8768 |
169 | 9UL | 0.8764 |
170 | IOP | 0.8762 |
171 | ALN | 0.8761 |
172 | Z17 | 0.8757 |
173 | M5H | 0.8756 |
174 | 5JT | 0.8755 |
175 | PVQ | 0.8754 |
176 | MTM | 0.8753 |
177 | AOJ | 0.8753 |
178 | 8XL | 0.8746 |
179 | 9BF | 0.8743 |
180 | MTI | 0.8743 |
181 | 3IL | 0.8742 |
182 | HO4 | 0.8738 |
183 | 0J2 | 0.8736 |
184 | AFX | 0.8735 |
185 | 7AP | 0.8733 |
186 | UN9 | 0.8730 |
187 | 3DT | 0.8729 |
188 | FF2 | 0.8729 |
189 | 2JK | 0.8728 |
190 | P2L | 0.8727 |
191 | YE7 | 0.8721 |
192 | 2KU | 0.8720 |
193 | GZV | 0.8720 |
194 | IAC | 0.8719 |
195 | BG6 | 0.8718 |
196 | N2M | 0.8717 |
197 | S0G | 0.8714 |
198 | ONZ | 0.8710 |
199 | PVK | 0.8709 |
200 | FNT | 0.8707 |
201 | PCG | 0.8701 |
202 | HA6 | 0.8700 |
203 | JYW | 0.8700 |
204 | 2P3 | 0.8699 |
205 | DAH | 0.8696 |
206 | 0SY | 0.8694 |
207 | 4R1 | 0.8692 |
208 | 4GP | 0.8692 |
209 | SYE | 0.8691 |
210 | NTF | 0.8691 |
211 | 8MP | 0.8691 |
212 | NWQ | 0.8685 |
213 | 5WN | 0.8679 |
214 | 6SZ | 0.8679 |
215 | 5E4 | 0.8678 |
216 | 8OB | 0.8676 |
217 | TO1 | 0.8672 |
218 | BBY | 0.8671 |
219 | 4K2 | 0.8669 |
220 | DT9 | 0.8667 |
221 | C4E | 0.8663 |
222 | ITE | 0.8660 |
223 | 78U | 0.8657 |
224 | MXD | 0.8654 |
225 | 1BW | 0.8653 |
226 | UN4 | 0.8653 |
227 | CPW | 0.8651 |
228 | 3N0 | 0.8650 |
229 | CGW | 0.8649 |
230 | XYP XIF | 0.8648 |
231 | XIF XYP | 0.8648 |
232 | 1QV | 0.8646 |
233 | ZHA | 0.8646 |
234 | NAR | 0.8641 |
235 | M6Z | 0.8639 |
236 | FY8 | 0.8638 |
237 | DT7 | 0.8637 |
238 | 3D8 | 0.8636 |
239 | ZIQ | 0.8635 |
240 | YM6 | 0.8635 |
241 | LVY | 0.8635 |
242 | 1XS | 0.8632 |
243 | 4OG | 0.8629 |
244 | BQ2 | 0.8629 |
245 | B21 | 0.8627 |
246 | EXR | 0.8625 |
247 | M6D | 0.8625 |
248 | C93 | 0.8622 |
249 | PW1 | 0.8622 |
250 | ZRK | 0.8621 |
251 | KYN | 0.8621 |
252 | XYP AHR | 0.8619 |
253 | 88R | 0.8617 |
254 | 2LT | 0.8616 |
255 | X2M | 0.8615 |
256 | CG8 | 0.8614 |
257 | MMS | 0.8610 |
258 | 4GU | 0.8610 |
259 | 96Z | 0.8609 |
260 | SU9 | 0.8608 |
261 | B23 | 0.8608 |
262 | 0HY | 0.8607 |
263 | 2DL | 0.8606 |
264 | BDI | 0.8599 |
265 | LTT | 0.8599 |
266 | 22T | 0.8598 |
267 | 7CI | 0.8597 |
268 | QUB | 0.8593 |
269 | JA3 | 0.8592 |
270 | NQ7 | 0.8591 |
271 | CCV | 0.8588 |
272 | OUB | 0.8587 |
273 | 56N | 0.8584 |
274 | CMU | 0.8583 |
275 | 8OE | 0.8583 |
276 | SJK | 0.8580 |
277 | TIA | 0.8580 |
278 | 6HP | 0.8565 |
279 | L3L | 0.8564 |
280 | KMG | 0.8560 |
281 | 47V | 0.8558 |
282 | 6XC | 0.8555 |
283 | ZME | 0.8553 |
284 | ARP | 0.8550 |
285 | TR4 | 0.8537 |
286 | 6NJ | 0.8537 |
287 | VPU | 0.8534 |
288 | EXL | 0.8534 |
289 | ZIP | 0.8533 |
290 | MZR | 0.8510 |
This union binding pocket(no: 1) in the query (biounit: 6cyi.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |