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- Structure Biounit | Ligand Information
- 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 20 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 = 0.87 uM | RDA | C18 H18 Cl N O8 | COc1cc(c(c.... |
10 | 1QYE | - | CDY | C10 H12 Cl N5 O2 | c1nc2c(nc(.... |
11 | 1QY8 | - | RDI | C18 H23 Cl O6 | C[C@@H]1C[.... |
12 | 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 = 2.8 uM | PY9 | C18 H19 N O3 | Cc1ccccc1[.... |
5 | 5J9X | Kd = 0.00000145 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 = 0.133 uM | 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 = 0.514 uM | BAW | C18 H17 F N2 O2 | CCc1cc(c(c.... |
56 | 3HEK | Ki = 3.5 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 | 5J8U | Kd = 0.00000145 M | 6DL | C14 H9 Br F N3 O3 | c1ccc(c(c1.... |
70 | 5J6N | - | 6FF | C18 H19 F N4 O5 S | CCCN(C)S(=.... |
71 | 5FNC | Kd = 77 uM | IEE | C12 H13 Cl N4 | Cc1ccc(cc1.... |
72 | 5J6M | Kd = 0.00000145 M | 6FJ | C21 H17 F N4 O5 | CN(Cc1ccco.... |
73 | 1UYG | ic50 = 53.5 uM | PU2 | C14 H14 F N5 O2 | COc1ccc(c(.... |
74 | 3D0B | Kd = 0.29 uM | SNX | C22 H23 N3 O3 | COCCNc1cc(.... |
75 | 2WI4 | ic50 = 1.56 uM | ZZ4 | C16 H11 Cl2 N5 | c1ccc(cc1).... |
76 | 2YEJ | - | XQK | C9 H9 N3 O3 | Cc1c(c([nH.... |
77 | 4AWO | ic50 = 24 nM | 99B | C29 H37 N5 O3 | CC[C@@H](C.... |
78 | 1UYI | ic50 = 4.1 uM | PUZ | C19 H20 F N5 O2 | COc1ccc(c(.... |
79 | 1BYQ | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
80 | 1UY6 | ic50 > 200 uM | PU3 | C19 H25 N5 O3 | CCCCn1c(nc.... |
81 | 4CWF | Ki = 32.4 uM | H05 | C12 H13 N5 | CCCc1nc2cc.... |
82 | 4W7T | ic50 = 0.9 uM | 3JC | C15 H15 N3 O | Cc1c2c(nc(.... |
83 | 2XJX | Kd = 0.71 nM | XJX | C24 H31 N3 O3 | CC(C)c1cc(.... |
84 | 4AWP | ic50 = 81 nM | 99A | C30 H33 N5 O3 | Cc1cc(c(cc.... |
85 | 2XJG | Kd = 0.015 uM | XJG | C19 H21 N O3 | CC(C)c1cc(.... |
86 | 4CWT | Ki = 0.179 uM | IK9 | C19 H17 F N6 O3 | c1cc2c(cc1.... |
87 | 4O09 | Ki = 0.02 uM | 2R6 | C24 H30 N2 O2 | Cc1cn(c2c1.... |
88 | 2BT0 | ic50 = 5.7 uM | CT5 | C20 H20 N2 O4 | CCc1cc(c(c.... |
89 | 2QG0 | Ki = 1.9 uM | A94 | C17 H19 N5 O4 S | Cc1cc(nc(n.... |
90 | 2XK2 | Kd = 10 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
91 | 3R91 | ic50 = 0.092 uM | 06H | C25 H32 N4 O3 | Cc1c2n(c3c.... |
92 | 2CCS | ic50 = 2 uM | 4BH | C13 H15 Cl N4 O2 | c1c(c(cc(c.... |
93 | 2YKJ | - | YKJ | C25 H18 N6 O | c1ccc2c(c1.... |
94 | 6GPY | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
95 | 5OCI | Kd = 9 nM | 9R8 | C27 H28 N4 O3 | Cc1cccc(c1.... |
96 | 4FCP | - | 42C | C7 H9 N5 | CN(C)c1c2c.... |
97 | 5J2X | Kd = 0.00000145 M | 6DL | C14 H9 Br F N3 O3 | c1ccc(c(c1.... |
98 | 3WHA | Kd = 0.48 nM | WHA | C19 H18 Cl N5 O2 S | c1cc2c3c(c.... |
99 | 6GR3 | - | AN2 | C10 H16 N6 O9 P2 | c1nc(c2c(n.... |
100 | 6EY8 | Kd = 1.55 uM | C4T | C23 H20 Cl N3 O2 | CN(Cc1ccc(.... |
101 | 2YEA | - | 2A9 | C8 H10 O3 | COc1ccc(cc.... |
102 | 2YI7 | Kd = 4.8 nM | BZ8 | C16 H13 Cl N2 O3 S | CCOc1ccc(c.... |
103 | 2YE2 | - | XQI | C9 H10 O4 | COC(=O)Cc1.... |
104 | 6F1N | Kd = 0.547 uM | C8W | C20 H19 N5 O5 S | COc1ccc(cc.... |
105 | 4CWO | Ki = 6.1 uM | T62 | C16 H13 N5 O2 | c1ccc2c(c1.... |
106 | 5J8M | Kd = 0.00000145 M | 6DL | C14 H9 Br F N3 O3 | c1ccc(c(c1.... |
107 | 4U93 | ic50 = 0.013 uM | 990 | C20 H18 F N5 O2 | Cc1c2c(nc(.... |
108 | 4CWS | Ki = 0.012 uM | G3R | C19 H18 N6 O3 | c1cc2c(cc1.... |
109 | 2BYH | ic50 = 0.258 uM | 2D7 | C18 H14 Cl N3 O4 | CC(=O)c1cc.... |
110 | 4EGI | ic50 = 150 uM | B2J | C6 H10 N4 S | CCSc1nc(nc.... |
111 | 1OSF | - | KOS | C32 H48 N4 O8 | C[C@H]1C[C.... |
112 | 3K97 | Ki = 10 nM | 4CD | C18 H18 Cl N O3 | Cc1ccccc1[.... |
113 | 2YED | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
114 | 6CEO | - | D57 | C22 H22 N2 O6 | COC(=O)c1c.... |
115 | 2YKC | - | YKC | C25 H17 N5 O | c1ccc2c(c1.... |
116 | 6GPT | - | A12 | C11 H17 N5 O9 P2 | c1nc(c2c(n.... |
117 | 5VYY | Kd = 0.62 uM | 9QY | C20 H19 Cl N2 O4 | COC(=O)c1c.... |
118 | 2WI2 | ic50 = 350 uM | ZZ3 | C5 H8 N4 S | Cc1nc(nc(n.... |
119 | 6GPF | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
120 | 2YE7 | - | 2GA | C8 H10 N4 S3 | Cc1c(c(n[n.... |
121 | 1UYF | ic50 = 30 uM | PU1 | C20 H21 Cl F N5 O3 | COc1cc(c(c.... |
122 | 3VHC | Kd = 1.3 nM | VHC | C22 H22 N4 O2 S | Cc1cc(c2cc.... |
123 | 2YK2 | - | YJX | C18 H14 N4 O | c1ccc2c(c1.... |
124 | 5J64 | Kd = 0.00000145 M | 6G7 | C14 H10 F N3 O3 | c1ccc(c(c1.... |
125 | 2XHR | Kd = 0.0048 uM | C0P | C16 H17 Cl3 N4 O2 | c1c(c(cc(c.... |
126 | 3R92 | ic50 = 0.883 uM | 06J | C26 H34 N4 O2 | Cc1c2n(c3c.... |
127 | 2CCT | ic50 = 6.3 uM | 2E1 | C16 H20 Cl N5 O3 | CCNC(=O)c1.... |
128 | 4XIR | Ki = 115 nM | 40X | C23 H27 Cl N2 O3 | CCC[C@H]1C.... |
129 | 4CWN | Ki = 2.6 uM | 6LV | C18 H17 N5 O2 | COc1cc(cc(.... |
130 | 1YET | - | GDM | C29 H40 N2 O9 | C[C@H]1C[C.... |
131 | 3QDD | ic50 = 5.1 nM | 94M | C14 H15 Cl N6 O | Cc1cnc(c(c.... |
132 | 6GPO | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
133 | 2H55 | - | DZ8 | C19 H22 F I N6 O2 | CC(C)NCCCn.... |
134 | 1UYK | ic50 = 17.1 uM | PUX | C17 H18 F N5 O2 | CCCCn1c(nc.... |
135 | 2XDS | - | MT0 | C9 H7 Cl N2 | Cc1c2ccccc.... |
136 | 2WI1 | ic50 > 4000 uM | ZZ2 | C8 H13 N3 O2 | Cc1cc(nc(n.... |
137 | 4FCR | Kd = 0.4 nM | 0TM | C19 H18 Cl N5 O3 S | CN(C)C(=O).... |
138 | 5FNF | Kd = 700 uM | TQL | C12 H10 N2 O3 | c1cc(cnc1).... |
139 | 5J27 | Kd = 0.00000145 M | 6FF | C18 H19 F N4 O5 S | CCCN(C)S(=.... |
140 | 2YEC | - | XQ0 | C8 H8 N2 O | Cc1c2ccc(c.... |
141 | 4CWQ | Ki = 0.088 uM | W2D | C17 H14 N6 O4 S | c1cc2c(cc1.... |
142 | 2YE4 | - | 2FY | C9 H10 O3 | CCC(=O)c1c.... |
143 | 2BSM | ic50 = 1.5 uM | BSM | C19 H18 Cl N3 O4 | CCNC(=O)c1.... |
144 | 2YKI | Kd = 0.35 nM | YKI | C27 H18 N6 O | c1ccc2c(c1.... |
145 | 3RLQ | Ki = 0.04 uM | 3RQ | C15 H10 Cl2 N4 O | Cc1nc(c2c(.... |
146 | 3MNR | - | SD1 | C27 H31 N3 O5 | Cc1cc2c(n1.... |
147 | 3K99 | Ki = 60 nM | PFT | C15 H13 N O3 | c1ccc2c(c1.... |
148 | 5LNZ | - | 70Z | C25 H31 N5 O4 | CCCCN(C)C(.... |
149 | 5J20 | Kd = 0.00000145 M | 6FJ | C21 H17 F N4 O5 | CN(Cc1ccco.... |
150 | 6GQR | - | APC | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
151 | 2YEF | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
152 | 3B28 | Kd = 0.0034 uM | B2X | C16 H13 Cl N4 O S | CSc1nc(nc(.... |
153 | 3R4P | Ki = 0.011 uM | FU7 | C21 H21 Cl2 F2 N7 O2 | CC(CNC(=O).... |
154 | 4NH8 | Ki = 3 nM | 2LC | C22 H26 F N3 O3 | Cc1cn(c2c1.... |
155 | 6ELN | Kd = 0.9 uM | P4A | C17 H16 N2 O3 | Cc1c(c(n[n.... |
156 | 2XDK | Kd = 250 uM | XDK | C9 H8 N4 | c1cc(cnc1).... |
157 | 2VCI | ic50 = 0.021 uM | 2GJ | C26 H31 N3 O5 | CCNC(=O)c1.... |
158 | 5M4E | - | 7F9 | C18 H20 N2 O5 | CCNC(=O)CN.... |
159 | 3QTF | ic50 = 0.11 uM | 05S | C24 H32 N4 O2 | Cc1c2n(c3c.... |
160 | 6EYB | Kd = 4.22 uM | C3Z | C23 H18 N4 O | c1ccc(cc1).... |
161 | 2WI5 | ic50 = 0.9 uM | ZZ5 | C17 H15 N5 O2 S | CCOc1ccc(c.... |
162 | 2XAB | Kd = 0.54 nM | VHD | C18 H19 N O3 | CC(C)c1cc(.... |
163 | 2UWD | Kd = 4.5 nM | 2GG | C19 H17 Cl N2 O5 | CCNC(=O)c1.... |
164 | 1UYH | ic50 = 14.3 uM | PU0 | C18 H22 F N5 O2 | CCCCn1c(nc.... |
165 | 6GP8 | - | APC | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
166 | 2XDL | Kd = 790 uM | 2DL | C12 H17 N O3 | CCN(CC)C(=.... |
167 | 5J82 | Kd = 0.00000145 M | 6GV | C18 H19 F N4 O5 S | CC(C)N(C)S.... |
168 | 4L91 | - | X29 | C12 H7 Br Cl N3 O2 | c1cc2nnc(n.... |
169 | 6GR1 | - | APC | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
170 | 6GQ6 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
171 | 3RKZ | ic50 = 0.083 uM | 06T | C28 H39 N5 O3 | Cc1c2n(c3c.... |
172 | 5LO0 | - | 70N | C28 H26 F2 N6 O3 S | CN1CCN(CC1.... |
173 | 4EEH | ic50 = 45 uM | HH6 | C13 H10 N2 O2 | c1cc(ccc1c.... |
174 | 2YE8 | - | 2D3 | C9 H9 N3 O3 | Cc1c(c(n[n.... |
175 | 2YI6 | - | 6QM | C18 H18 N2 O3 S | CCc1cc(c(c.... |
176 | 2YJX | - | YJX | C18 H14 N4 O | c1ccc2c(c1.... |
177 | 4CWP | Ki = 0.17 uM | TV2 | C17 H13 N5 O2 | c1ccc2c(c1.... |
178 | 4NH7 | Ki = 4 nM | HIE | C23 H27 F3 N4 O3 | CC1(Cc2c(c.... |
179 | 6EY9 | Kd = 1.24 uM | C4N | C24 H22 Cl N3 O2 | Cc1cccc(c1.... |
180 | 4EFU | ic50 = 0.25 uM | EFU | C24 H23 N3 O2 | Cc1cccc(c1.... |
181 | 5NYH | Kd = 18.7 nM | 9EK | C24 H27 N5 O4 | CN(c1ccc(c.... |
182 | 2YJW | - | YJW | C16 H13 N O3 | Cc1c(c(no1.... |
183 | 4O05 | Ki = 0.037 uM | 2Q9 | C26 H34 N4 O2 | CC(C)Nc1cc.... |
184 | 3B25 | Kd = 0.86 uM | B2K | C12 H13 N3 O2 S | Cc1ccc(cc1.... |
185 | 3OW6 | - | MEX | C13 H10 N2 O3 | c1ccc2c(c1.... |
186 | 3FT8 | ic50 = 0.03 uM | MOJ | C20 H18 F N5 O | Cc1c2c(nc(.... |
187 | 4EGH | ic50 = 550 uM | 0OY | C11 H13 N O3 | c1cc(ccc1C.... |
188 | 5ZR3 | ic50 = 98 nM | 9J0 | C24 H24 N8 O | Cc1cc(ccc1.... |
189 | 3INW | ic50 = 0.039 uM | JZB | C24 H29 Cl N2 O6 | c1c(c2c(c(.... |
190 | 3HHU | ic50 = 41 nM | 819 | C21 H24 N4 O4 S | CCOC(=O)NC.... |
191 | 6GPR | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
192 | 4BQJ | - | XKL | C18 H15 N3 O7 | CCNC(=O)c1.... |
193 | 4O0B | Ki = 0.005 uM | 2QA | C25 H30 N2 O2 | Cc1cn(c2c1.... |
194 | 4JQL | ic50 = 1 uM | VJ6 | C28 H41 N3 O9 | C[C@H]1/C=.... |
195 | 1UYC | ic50 = 41 uM | PU7 | C18 H23 N5 O2 | CCCCn1c(nc.... |
196 | 2YE9 | - | 2D4 | C20 H15 N O4 S2 | c1ccc2c(c1.... |
197 | 2FWY | ic50 = 200 nM | H64 | C18 H21 Br N6 O2 S | CC(C)NCCCn.... |
198 | 3R4M | Ki = 1.2 uM | WOE | C11 H10 Cl N3 O | COc1ccccc1.... |
199 | 6ELP | Kd = 0.236 uM | BA8 | C22 H18 Cl N3 O2 | c1ccc(c(c1.... |
200 | 5J86 | Kd = 0.00000145 M | 6GW | C22 H20 N4 O4 S | Cc1ccccc1N.... |
201 | 4EGK | ic50 = 40 nM | RDC | C18 H17 Cl O6 | C[C@@H]1C[.... |
202 | 5FND | Kd = 320 uM | IQ5 | C10 H11 N3 O S | Cc1cc2c(cc.... |
203 | 3BM9 | ic50 = 0.19 uM | BXZ | C13 H8 Br N O4 | c1cc2c(cc1.... |
204 | 4FCQ | Kd = 0.156 uM | 2N6 | C16 H14 N4 S | Cc1ccc(c(c.... |
205 | 5GGZ | ic50 = 0.056 uM | 6TN | C19 H23 N3 O4 | CCOc1ncc2c.... |
206 | 1TC0 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
207 | 1U2O | - | NEC | C12 H16 N6 O4 | CCNC(=O)[C.... |
208 | 1TC6 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
209 | 1U0Z | - | RDC | C18 H17 Cl O6 | C[C@@H]1C[.... |
210 | 1TBW | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
211 | 6ASQ | - | VC4 | C22 H20 Cl N O4 | COC(=O)c1c.... |
212 | 1YT0 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
213 | 2EXL | - | GDM | C29 H40 N2 O9 | C[C@H]1C[C.... |
214 | 2GFD | Kd = 0.87 uM | RDA | C18 H18 Cl N O8 | COc1cc(c(c.... |
215 | 2YI0 | Kd = 7.5 nM | YI0 | C15 H11 Cl N2 O3 S | COc1ccc(cc.... |
216 | 2QFO | Ki = 18 uM | A13 | C6 H6 F3 N3 | Cc1cc(nc(n.... |
217 | 2WI7 | ic50 = 0.058 uM | 2KL | C21 H23 Cl2 N5 O2 S | CCNC(=O)c1.... |
218 | 2YEI | - | XQK | C9 H9 N3 O3 | Cc1c(c([nH.... |
219 | 5J6L | Kd = 0.00000145 M | 6GC | C20 H21 F N4 O4 | CCCCN(C)C(.... |
220 | 5ODX | Kd = 195 nM | 9RZ | C26 H31 N5 O5 | CN(c1ccc(c.... |
221 | 3RLP | Kd = 0.084 uM | 3RP | C12 H11 Cl2 N3 O | Cc1cc(nc(n.... |
222 | 2IOR | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
223 | 4XDM | - | GDM | C29 H40 N2 O9 | C[C@H]1C[C.... |
224 | 4XC0 | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
225 | 4XCJ | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
226 | 4XCL | - | AGS | C10 H16 N5 O12 P3 S | c1nc(c2c(n.... |
227 | 4XD8 | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
228 | 1QYE | - | CDY | C10 H12 Cl N5 O2 | c1nc2c(nc(.... |
229 | 1QY8 | - | RDI | C18 H23 Cl O6 | C[C@@H]1C[.... |
230 | 6D28 | Kd = 200 nM | NEC | C12 H16 N6 O4 | CCNC(=O)[C.... |
231 | 2BRC | ic50 = 7.1 uM | CT5 | C20 H20 N2 O4 | CCc1cc(c(c.... |
232 | 4CE3 | - | L4V | C18 H22 Cl N O4 | CN1CCC/C=C.... |
233 | 2VW5 | Ki = 3 nM | BC6 | C28 H42 N2 O6 | C[C@H]1CCC.... |
234 | 4ASA | - | 59C | C32 H45 N3 O8 | C[C@H]1C[C.... |
235 | 1BGQ | Kd = 2.7 nM | RDC | C18 H17 Cl O6 | C[C@@H]1C[.... |
236 | 2XX2 | - | 13C | C17 H20 Cl N O4 | c1c(c2c(c(.... |
237 | 2WEP | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
238 | 2WER | Kd = 90 nM | RDC | C18 H17 Cl O6 | C[C@@H]1C[.... |
239 | 2YGA | Kd = 24.5 uM | GDM | C29 H40 N2 O9 | C[C@H]1C[C.... |
240 | 2FXS | Kd = 0.52 uM | RDA | C18 H18 Cl N O8 | COc1cc(c(c.... |
241 | 2XX4 | - | 13I | C20 H26 Cl N O6 | CCO[C@H]([.... |
242 | 1AM1 | Kd = 132 mM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
243 | 2XD6 | ic50 = 0.011 uM | XD6 | C18 H19 Cl O6 | c1c(c2c(c(.... |
244 | 2CGF | Kd = 0.39 uM | P2N | C17 H19 Cl O5 | c1c(c2c(c(.... |
245 | 1AMW | Kd = 29 uM | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
246 | 4ASG | - | 814 | C35 H44 N2 O9 | C[C@H]1C[C.... |
247 | 1A4H | - | GDM | C29 H40 N2 O9 | C[C@H]1C[C.... |
248 | 4CE2 | - | BO5 | C19 H24 Cl N O4 | CN1CC/C=C/.... |
249 | 2BRE | ic50 < 1 uM | KJ2 | C18 H18 Cl N3 O3 | c1cc(ccc1c.... |
250 | 2IWX | Kd = 0.21 uM | M1S | C18 H21 Cl O5 | c1c(c2c(c(.... |
251 | 2XX5 | - | 13N | C25 H27 Cl N2 O5 | c1ccc(cc1).... |
252 | 2YGF | Kd = 12 uM | GDM | C29 H40 N2 O9 | C[C@H]1C[C.... |
253 | 2VWC | Ki = 0.24 uM | BC2 | C30 H42 N2 O8 | C[C@H]1C[C.... |
254 | 4CE1 | - | 7FK | C20 H26 Cl N O4 | CN1CC/C=C/.... |
255 | 2WEQ | Kd = 1.27 uM | GDM | C29 H40 N2 O9 | C[C@H]1C[C.... |
256 | 2YGE | Kd = 24.5 uM | GDM | C29 H40 N2 O9 | C[C@H]1C[C.... |
257 | 5F5R | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
258 | 3NMQ | - | 7PP | C21 H24 Cl N5 O2 | Cc1cnc(c(c.... |
259 | 5UCJ | Kd = 0.44 uM | KU3 | C19 H17 F N2 O3 | CC(C)c1cc(.... |
260 | 1UYM | - | PU3 | C19 H25 N5 O3 | CCCCn1c(nc.... |
261 | 5UC4 | Kd = 0.35 uM | 83S | C19 H19 N O3 | CC(C)c1cc(.... |
262 | 3K60 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
263 | 1YC3 | Kd = 0.68 uM | 4BC | C19 H16 N2 O6 | CCc1cc(c(c.... |
264 | 1YC4 | Kd = 0.28 uM | 43P | C14 H14 N4 O2 | CCc1cc(c(c.... |
265 | 1YC1 | Kd = 0.68 uM | 4BC | C19 H16 N2 O6 | CCc1cc(c(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | A | 1 | 1 |
2 | AMP | 1 | 1 |
3 | A2D | 0.833333 | 0.943662 |
4 | ABM | 0.833333 | 0.943662 |
5 | ADP | 0.823529 | 0.971429 |
6 | A12 | 0.808824 | 0.931507 |
7 | AP2 | 0.808824 | 0.931507 |
8 | BA3 | 0.808824 | 0.943662 |
9 | SRA | 0.80303 | 0.944444 |
10 | AP5 | 0.797101 | 0.943662 |
11 | B4P | 0.797101 | 0.943662 |
12 | HEJ | 0.788732 | 0.971429 |
13 | ATP | 0.788732 | 0.971429 |
14 | AT4 | 0.785714 | 0.931507 |
15 | AN2 | 0.785714 | 0.957747 |
16 | 5FA | 0.777778 | 0.971429 |
17 | AQP | 0.777778 | 0.971429 |
18 | APC | 0.777778 | 0.931507 |
19 | CA0 | 0.774648 | 0.917808 |
20 | M33 | 0.774648 | 0.930556 |
21 | AU1 | 0.774648 | 0.944444 |
22 | ADX | 0.774648 | 0.848101 |
23 | ACP | 0.763889 | 0.944444 |
24 | 50T | 0.763889 | 0.957747 |
25 | 25A | 0.75641 | 0.971429 |
26 | AR6 | 0.753425 | 0.943662 |
27 | PRX | 0.753425 | 0.917808 |
28 | APR | 0.753425 | 0.943662 |
29 | ACQ | 0.746667 | 0.944444 |
30 | T99 | 0.746667 | 0.931507 |
31 | TAT | 0.746667 | 0.931507 |
32 | SAP | 0.743243 | 0.918919 |
33 | AD9 | 0.743243 | 0.944444 |
34 | AGS | 0.743243 | 0.918919 |
35 | RBY | 0.743243 | 0.905405 |
36 | ADV | 0.743243 | 0.905405 |
37 | ANP | 0.723684 | 0.944444 |
38 | ADP PO3 | 0.72 | 0.942857 |
39 | 6YZ | 0.717949 | 0.944444 |
40 | 5AL | 0.714286 | 0.930556 |
41 | SON | 0.712329 | 0.931507 |
42 | LMS | 0.710145 | 0.825 |
43 | RAB | 0.709677 | 0.842857 |
44 | XYA | 0.709677 | 0.842857 |
45 | ADN | 0.709677 | 0.842857 |
46 | ATF | 0.705128 | 0.931507 |
47 | GAP | 0.701299 | 0.891892 |
48 | A22 | 0.7 | 0.957747 |
49 | SRP | 0.696203 | 0.905405 |
50 | 7D5 | 0.691176 | 0.902778 |
51 | A3P | 0.684932 | 0.971014 |
52 | A2P | 0.684932 | 0.956522 |
53 | ADP ALF | 0.683544 | 0.868421 |
54 | ALF ADP | 0.683544 | 0.868421 |
55 | ADQ | 0.682927 | 0.917808 |
56 | MAP | 0.679012 | 0.918919 |
57 | ADP VO4 | 0.675 | 0.930556 |
58 | VO4 ADP | 0.675 | 0.930556 |
59 | OOB | 0.670732 | 0.930556 |
60 | 9ZA | 0.670732 | 0.906667 |
61 | 8QN | 0.670732 | 0.930556 |
62 | 5SV | 0.670732 | 0.87013 |
63 | 9ZD | 0.670732 | 0.906667 |
64 | PTJ | 0.670588 | 0.894737 |
65 | AOC | 0.666667 | 0.84507 |
66 | PAJ | 0.662651 | 0.858974 |
67 | 4AD | 0.662651 | 0.893333 |
68 | A3R | 0.662651 | 0.881579 |
69 | A1R | 0.662651 | 0.881579 |
70 | AMO | 0.662651 | 0.905405 |
71 | 5N5 | 0.661538 | 0.816901 |
72 | DAL AMP | 0.658537 | 0.90411 |
73 | IMO | 0.657534 | 0.928571 |
74 | AHX | 0.654762 | 0.87013 |
75 | 00A | 0.654762 | 0.881579 |
76 | DLL | 0.654762 | 0.930556 |
77 | 5AS | 0.653333 | 0.776471 |
78 | A4D | 0.651515 | 0.816901 |
79 | 5CD | 0.651515 | 0.828571 |
80 | 9X8 | 0.647059 | 0.893333 |
81 | OAD | 0.647059 | 0.917808 |
82 | 3UK | 0.647059 | 0.917808 |
83 | ADP BMA | 0.647059 | 0.891892 |
84 | 25L | 0.643678 | 0.957747 |
85 | PR8 | 0.639535 | 0.848101 |
86 | WAQ | 0.639535 | 0.881579 |
87 | LAD | 0.639535 | 0.858974 |
88 | B5V | 0.639535 | 0.905405 |
89 | DTA | 0.637681 | 0.808219 |
90 | V3L | 0.6375 | 0.971429 |
91 | 3DH | 0.633803 | 0.794521 |
92 | BIS | 0.632184 | 0.906667 |
93 | ME8 | 0.632184 | 0.8375 |
94 | 3OD | 0.632184 | 0.917808 |
95 | FYA | 0.632184 | 0.930556 |
96 | NB8 | 0.632184 | 0.87013 |
97 | 1ZZ | 0.632184 | 0.8375 |
98 | TXA | 0.632184 | 0.905405 |
99 | MTA | 0.628571 | 0.794521 |
100 | 3AM | 0.625 | 0.956522 |
101 | EP4 | 0.623188 | 0.773333 |
102 | A A | 0.62069 | 0.971429 |
103 | 9SN | 0.617977 | 0.87013 |
104 | M2T | 0.614286 | 0.753247 |
105 | JB6 | 0.613636 | 0.881579 |
106 | YAP | 0.611111 | 0.893333 |
107 | B5Y | 0.611111 | 0.893333 |
108 | FA5 | 0.611111 | 0.905405 |
109 | B5M | 0.611111 | 0.893333 |
110 | MYR AMP | 0.606742 | 0.814815 |
111 | G5A | 0.604938 | 0.776471 |
112 | XAH | 0.604396 | 0.8375 |
113 | 4UV | 0.597826 | 0.893333 |
114 | 71V | 0.597403 | 0.906667 |
115 | ATP A A A | 0.593407 | 0.929577 |
116 | PAP | 0.592593 | 0.957143 |
117 | G3A | 0.591398 | 0.894737 |
118 | 2AM | 0.589041 | 0.942857 |
119 | 5X8 | 0.5875 | 0.783784 |
120 | 6RE | 0.586667 | 0.779221 |
121 | 6C6 | 0.585366 | 0.905405 |
122 | AFH | 0.585106 | 0.858974 |
123 | 4UU | 0.585106 | 0.893333 |
124 | G5P | 0.585106 | 0.894737 |
125 | GA7 | 0.585106 | 0.905405 |
126 | 7D3 | 0.584416 | 0.878378 |
127 | A5A | 0.583333 | 0.804878 |
128 | TSB | 0.581395 | 0.795181 |
129 | AMP DBH | 0.580645 | 0.891892 |
130 | TYR AMP | 0.580645 | 0.868421 |
131 | 2A5 | 0.580247 | 0.891892 |
132 | DQV | 0.578947 | 0.930556 |
133 | DSH | 0.578947 | 0.74359 |
134 | GTA | 0.578947 | 0.860759 |
135 | TAD | 0.578947 | 0.858974 |
136 | 6IA | 0.578313 | 0.858974 |
137 | SSA | 0.576471 | 0.776471 |
138 | AMZ | 0.575342 | 0.888889 |
139 | C2R | 0.575342 | 0.876712 |
140 | PGS | 0.575 | 0.857143 |
141 | 7D4 | 0.575 | 0.878378 |
142 | ZAS | 0.573333 | 0.786667 |
143 | ATR | 0.573171 | 0.942857 |
144 | LAQ | 0.572917 | 0.8375 |
145 | AAM | 0.571429 | 1 |
146 | J7C | 0.571429 | 0.789474 |
147 | A3N | 0.571429 | 0.783784 |
148 | PPS | 0.571429 | 0.848101 |
149 | AIR | 0.571429 | 0.927536 |
150 | 52H | 0.569767 | 0.776471 |
151 | 54H | 0.569767 | 0.785714 |
152 | VMS | 0.569767 | 0.785714 |
153 | AR6 AR6 | 0.568421 | 0.916667 |
154 | ARG AMP | 0.568421 | 0.82716 |
155 | 7MD | 0.568421 | 0.8375 |
156 | YLP | 0.56701 | 0.817073 |
157 | 48N | 0.56701 | 0.87013 |
158 | OVE | 0.565789 | 0.90411 |
159 | UPA | 0.565657 | 0.881579 |
160 | 2SA | 0.564706 | 0.905405 |
161 | S4M | 0.564103 | 0.682353 |
162 | 5CA | 0.563218 | 0.776471 |
163 | 53H | 0.563218 | 0.776471 |
164 | 8X1 | 0.563218 | 0.75 |
165 | UP5 | 0.561224 | 0.893333 |
166 | NAI | 0.561224 | 0.881579 |
167 | 6V0 | 0.561224 | 0.87013 |
168 | NAX | 0.561224 | 0.848101 |
169 | 4UW | 0.561224 | 0.858974 |
170 | DND | 0.561224 | 0.905405 |
171 | TXD | 0.561224 | 0.881579 |
172 | NXX | 0.561224 | 0.905405 |
173 | NIA | 0.56 | 0.820513 |
174 | D5M | 0.558442 | 0.902778 |
175 | DA | 0.558442 | 0.902778 |
176 | MAO | 0.556962 | 0.777778 |
177 | AHZ | 0.556701 | 0.814815 |
178 | OMR | 0.555556 | 0.82716 |
179 | ITT | 0.555556 | 0.915493 |
180 | TYM | 0.555556 | 0.905405 |
181 | TXE | 0.555556 | 0.881579 |
182 | 5AD | 0.552239 | 0.768116 |
183 | A2R | 0.551724 | 0.957747 |
184 | LPA AMP | 0.55102 | 0.814815 |
185 | DSZ | 0.550562 | 0.776471 |
186 | NSS | 0.550562 | 0.776471 |
187 | LSS | 0.550562 | 0.758621 |
188 | AP0 | 0.55 | 0.87013 |
189 | YLC | 0.55 | 0.8375 |
190 | 4TC | 0.55 | 0.87013 |
191 | YLB | 0.55 | 0.817073 |
192 | P5A | 0.549451 | 0.741573 |
193 | 139 | 0.54902 | 0.848101 |
194 | A4P | 0.544554 | 0.819277 |
195 | NVA LMS | 0.544444 | 0.75 |
196 | GJV | 0.544304 | 0.769231 |
197 | 7D7 | 0.544118 | 0.763889 |
198 | 9K8 | 0.543478 | 0.711111 |
199 | A7D | 0.54321 | 0.797297 |
200 | AF3 ADP 3PG | 0.54 | 0.835443 |
201 | 6K6 | 0.539326 | 0.957143 |
202 | IOT | 0.539216 | 0.829268 |
203 | A3G | 0.538462 | 0.797297 |
204 | LEU LMS | 0.538462 | 0.75 |
205 | A5D | 0.535714 | 0.808219 |
206 | 7MC | 0.534653 | 0.817073 |
207 | T5A | 0.533981 | 0.817073 |
208 | ADJ | 0.533981 | 0.82716 |
209 | YLA | 0.533981 | 0.817073 |
210 | GSU | 0.532609 | 0.776471 |
211 | KAA | 0.532609 | 0.75 |
212 | 7RA | 0.531646 | 0.985507 |
213 | SFG | 0.53012 | 0.77027 |
214 | SAH | 0.529412 | 0.763158 |
215 | HFD | 0.529412 | 0.918919 |
216 | AYB | 0.528846 | 0.807229 |
217 | CNA | 0.528846 | 0.905405 |
218 | N6P | 0.527473 | 0.942029 |
219 | 8BR | 0.525 | 0.931507 |
220 | F2R | 0.52381 | 0.839506 |
221 | 80F | 0.523364 | 0.817073 |
222 | Y3J | 0.521127 | 0.746479 |
223 | YSA | 0.520833 | 0.776471 |
224 | 7RP | 0.518987 | 0.955882 |
225 | BTX | 0.518868 | 0.839506 |
226 | NAD | 0.518868 | 0.930556 |
227 | COD | 0.518868 | 0.788235 |
228 | G A A A | 0.518868 | 0.87013 |
229 | MHZ | 0.518072 | 0.714286 |
230 | SA8 | 0.517647 | 0.725 |
231 | 6AD | 0.517241 | 0.883117 |
232 | DZD | 0.514019 | 0.858974 |
233 | BT5 | 0.514019 | 0.829268 |
234 | RMB | 0.5125 | 0.898551 |
235 | SAI | 0.511628 | 0.753247 |
236 | AV2 | 0.511364 | 0.890411 |
237 | 8PZ | 0.510417 | 0.776471 |
238 | A3D | 0.509259 | 0.917808 |
239 | A3S | 0.506024 | 0.808219 |
240 | 3AT | 0.505747 | 0.943662 |
241 | SAM | 0.505747 | 0.707317 |
242 | SMM | 0.505618 | 0.702381 |
243 | NA7 | 0.505376 | 0.931507 |
244 | 4TA | 0.504673 | 0.804878 |
245 | AMP NAD | 0.504673 | 0.90411 |
246 | EEM | 0.5 | 0.707317 |
247 | G | 0.5 | 0.905405 |
248 | NEC | 0.5 | 0.743243 |
249 | 5GP | 0.5 | 0.905405 |
250 | AAT | 0.5 | 0.725 |
251 | YLY | 0.495495 | 0.807229 |
252 | M24 | 0.495495 | 0.848101 |
253 | 7C5 | 0.494949 | 0.815789 |
254 | DAT | 0.494118 | 0.878378 |
255 | A3T | 0.494118 | 0.819444 |
256 | P2P | 0.493827 | 0.928571 |
257 | FAI | 0.493827 | 0.888889 |
258 | 1RB | 0.493671 | 0.911765 |
259 | NAE | 0.491071 | 0.893333 |
260 | U A | 0.490909 | 0.906667 |
261 | NAJ PZO | 0.490909 | 0.846154 |
262 | A G | 0.490741 | 0.881579 |
263 | TM1 | 0.489583 | 0.771084 |
264 | A A A | 0.489362 | 0.90411 |
265 | A6D | 0.489362 | 0.740741 |
266 | PO4 PO4 A A A A PO4 | 0.489362 | 0.901408 |
267 | S7M | 0.488889 | 0.707317 |
268 | DTP | 0.488636 | 0.878378 |
269 | RBZ | 0.4875 | 0.873239 |
270 | 101 | 0.4875 | 0.902778 |
271 | EAD | 0.486957 | 0.848101 |
272 | NAQ | 0.486726 | 0.87013 |
273 | U A G G | 0.486239 | 0.881579 |
274 | 4YB | 0.485149 | 0.758621 |
275 | NDE | 0.483051 | 0.931507 |
276 | ZID | 0.482456 | 0.917808 |
277 | N0B | 0.482456 | 0.817073 |
278 | WSA | 0.480769 | 0.785714 |
279 | RGT | 0.479592 | 0.931507 |
280 | ARU | 0.478723 | 0.835443 |
281 | GGZ | 0.478261 | 0.8 |
282 | JLN | 0.47561 | 0.863014 |
283 | ANZ | 0.475248 | 0.820513 |
284 | QQY | 0.475 | 0.837838 |
285 | ACK | 0.475 | 0.885714 |
286 | NAJ PYZ | 0.473684 | 0.804878 |
287 | S8M | 0.473118 | 0.779221 |
288 | GEK | 0.473118 | 0.734177 |
289 | AVV | 0.473118 | 0.87013 |
290 | 3AD | 0.472973 | 0.828571 |
291 | A U | 0.471698 | 0.868421 |
292 | P1H | 0.470588 | 0.82716 |
293 | 0UM | 0.468085 | 0.716049 |
294 | RVP | 0.467532 | 0.847222 |
295 | 649 | 0.466667 | 0.741573 |
296 | Z5A | 0.465517 | 0.776471 |
297 | PMO | 0.464286 | 0.873239 |
298 | SXZ | 0.463918 | 0.707317 |
299 | 62X | 0.463158 | 0.682353 |
300 | QQX | 0.4625 | 0.826667 |
301 | 8Q2 | 0.462264 | 0.75 |
302 | 2VA | 0.45977 | 0.797297 |
303 | IMP | 0.458824 | 0.90411 |
304 | K15 | 0.458333 | 0.698795 |
305 | CC5 | 0.458333 | 0.84058 |
306 | AS | 0.457831 | 0.855263 |
307 | DDS | 0.455556 | 0.851351 |
308 | V1N | 0.455446 | 0.943662 |
309 | NJP | 0.454545 | 0.918919 |
310 | 7DD | 0.453488 | 0.957143 |
311 | 93A | 0.453488 | 0.804878 |
312 | G7M | 0.453488 | 0.87013 |
313 | 3L1 | 0.453333 | 0.77027 |
314 | 3D1 | 0.453333 | 0.77027 |
315 | EO7 | 0.452381 | 0.785714 |
316 | NDC | 0.45082 | 0.87013 |
317 | FB0 | 0.45082 | 0.781609 |
318 | 0WD | 0.45045 | 0.894737 |
319 | NVA 2AD | 0.449438 | 0.75641 |
320 | 26A | 0.447368 | 0.76 |
321 | 2FA | 0.447368 | 0.810811 |
322 | 2BA | 0.447059 | 0.914286 |
323 | CMP | 0.447059 | 0.927536 |
324 | D3Y | 0.446809 | 0.786667 |
325 | KB1 | 0.444444 | 0.716049 |
326 | APU | 0.444444 | 0.893333 |
327 | VRT | 0.444444 | 0.766234 |
328 | SO8 | 0.444444 | 0.786667 |
329 | FDA | 0.443548 | 0.809524 |
330 | PUA | 0.443478 | 0.858974 |
331 | ODP | 0.441441 | 0.883117 |
332 | 6FA | 0.44 | 0.817073 |
333 | 103 | 0.439024 | 0.861111 |
334 | RP1 | 0.439024 | 0.864865 |
335 | SP1 | 0.439024 | 0.864865 |
336 | 3NZ | 0.438776 | 0.779221 |
337 | A C A C | 0.438596 | 0.846154 |
338 | 7DT | 0.438202 | 0.957143 |
339 | NDP | 0.436364 | 0.894737 |
340 | NPW | 0.436364 | 0.860759 |
341 | MTP | 0.434211 | 0.727273 |
342 | FAS | 0.433071 | 0.82716 |
343 | SFD | 0.433071 | 0.712766 |
344 | FAD | 0.433071 | 0.82716 |
345 | IRN | 0.432432 | 0.867647 |
346 | ZZB | 0.432432 | 0.792683 |
347 | TXP | 0.432432 | 0.894737 |
348 | NZQ | 0.432432 | 0.883117 |
349 | 62F | 0.430769 | 0.8375 |
350 | FNK | 0.430769 | 0.781609 |
351 | 128 | 0.429907 | 0.752941 |
352 | 1DA | 0.428571 | 0.842857 |
353 | 6MD | 0.428571 | 0.805556 |
354 | PAX | 0.428571 | 0.82716 |
355 | SLU | 0.426087 | 0.767442 |
356 | XNP | 0.424779 | 0.848101 |
357 | 12D | 0.424528 | 0.761905 |
358 | 5F1 | 0.423077 | 0.72973 |
359 | ETB | 0.422414 | 0.809524 |
360 | DCA | 0.422414 | 0.8 |
361 | F0P | 0.422018 | 0.725 |
362 | WMP | 0.421053 | 0.864865 |
363 | GUO | 0.421053 | 0.864865 |
364 | FAY | 0.416667 | 0.8375 |
365 | 38Y | 0.415929 | 0.804878 |
366 | 5J9 | 0.415842 | 0.728395 |
367 | COA | 0.415254 | 0.8 |
368 | 0T1 | 0.415254 | 0.8 |
369 | KH3 | 0.415094 | 0.690476 |
370 | U A C C | 0.413793 | 0.857143 |
371 | N01 | 0.413793 | 0.90411 |
372 | FMP | 0.413793 | 0.871429 |
373 | RFL | 0.413534 | 0.797619 |
374 | NMN AMP PO4 | 0.412281 | 0.868421 |
375 | GP2 | 0.408602 | 0.858974 |
376 | GDP | 0.408602 | 0.893333 |
377 | NAP | 0.408333 | 0.944444 |
378 | NOC | 0.407895 | 0.760563 |
379 | 2ER | 0.405941 | 0.831169 |
380 | 1PR | 0.405941 | 0.820513 |
381 | P5F | 0.405797 | 0.8 |
382 | CAO | 0.404959 | 0.772727 |
383 | TAP | 0.404959 | 0.906667 |
384 | 30N | 0.404959 | 0.731183 |
385 | COS | 0.404959 | 0.781609 |
386 | AMX | 0.404959 | 0.809524 |
387 | XMP | 0.402299 | 0.891892 |
388 | G2P | 0.402062 | 0.858974 |
389 | APC G U | 0.401709 | 0.833333 |
390 | U A A U | 0.401639 | 0.906667 |
391 | CMX | 0.401639 | 0.8 |
392 | NA0 | 0.401639 | 0.931507 |
393 | SCO | 0.401639 | 0.8 |
394 | 9JJ | 0.40146 | 0.8375 |
395 | F2N | 0.4 | 0.790698 |
This union binding pocket(no: 1) in the query (biounit: 2gfd.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4MGA | 27L | None |
2 | 1UO5 | PIH | None |
3 | 5TVI | MYR | None |
4 | 1ID0 | ANP | None |
5 | 1UO4 | PIH | None |
6 | 4O4Z | N2O | 1.94805 |
7 | 1KZN | CBN | 1.95122 |
8 | 3KP6 | SAL | 1.98676 |
9 | 5J6A | P46 | 2.11864 |
10 | 2GWH | PCI | 2.11864 |
11 | 2WSB | NAD | 2.11864 |
12 | 3H4L | ANP | 2.54237 |
13 | 2GBB | CIT | 2.5641 |
14 | 1XZ3 | ICF | 2.87356 |
15 | 4URL | XAM | 2.9661 |
16 | 4ZVI | 4S4 | 2.9661 |
17 | 4RW3 | TDA | 2.9661 |
18 | 5FYR | INS | 2.9661 |
19 | 1S14 | NOV | 3.09278 |
20 | 2ZKJ | ADP | 3.38983 |
21 | 3AQT | RCO | 3.38983 |
22 | 1HZP | DAO | 3.38983 |
23 | 4EMV | 0R9 | 3.9823 |
24 | 2D5X | L35 | 4.10959 |
25 | 4GGL | CJC | 4.18605 |
26 | 5CKS | GAL | 4.23729 |
27 | 3X01 | AMP | 4.23729 |
28 | 4PL9 | ADP | 4.37158 |
29 | 3TTZ | 07N | 4.54545 |
30 | 4HY1 | 19X | 4.66102 |
31 | 4OKD | GLC GLC GLC | 4.66102 |
32 | 4P8O | 883 | 4.81283 |
33 | 2C2A | ADP | 5.08475 |
34 | 1KIJ | NOV | 5.08475 |
35 | 6CB2 | OLC | 5.9322 |
36 | 2YLD | CMO | 6.29921 |
37 | 1GKZ | ADP | 6.35593 |
38 | 1ZED | PNP | 6.35593 |
39 | 4BIX | ADP | 6.35593 |
40 | 1VAY | AZA | 6.77966 |
41 | 1SGJ | OAA | 6.77966 |
42 | 1LTI | GAL | 6.79612 |
43 | 5C1M | OLC | 7.2 |
44 | 1ZXM | ANP | 7.20339 |
45 | 1T0S | BML | 7.20339 |
46 | 5FH7 | 5XL | 7.25806 |
47 | 5A4W | QCT | 7.54717 |
48 | 4GCZ | ADP | 7.62712 |
49 | 5NM7 | GLY | 7.62712 |
50 | 4RFM | 3P6 | 7.62712 |
51 | 1Y8O | ADP | 8.05085 |
52 | 1QZR | ANP | 8.47458 |
53 | 1QZR | CDX | 8.47458 |
54 | 3D36 | ADP | 8.8983 |
55 | 4OGQ | 1O2 | 8.8983 |
56 | 4OGQ | 7PH | 8.8983 |
57 | 1S16 | ANP | 9.32203 |
58 | 5ZCO | CHD | 9.41177 |
59 | 1JGS | SAL | 9.42029 |
60 | 4BAE | RWX | 9.7561 |
61 | 5LX9 | OLB | 10.1695 |
62 | 4B6C | B5U | 10.2041 |
63 | 4URN | NOV | 10.2222 |
64 | 3E70 | GDP | 10.5932 |
65 | 5IDM | ANP | 10.6145 |
66 | 4HZ0 | 1AV | 12.2066 |
67 | 1I58 | ACP | 12.6984 |
68 | 1I58 | ADP | 12.6984 |
69 | 1TH8 | ADP | 14.4828 |
70 | 1TID | ATP | 16.1765 |
71 | 2HKJ | RDC | 16.5254 |
72 | 5OF9 | ANP | 18.6441 |
73 | 4KBY | C2E | 20.2899 |
74 | 1KJ1 | MAN | 22.0183 |
75 | 5LWY | OLB | 23.3645 |
76 | 1B63 | ANP | 25.4237 |
This union binding pocket(no: 2) in the query (biounit: 2gfd.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1NF8 | BOG | None |
2 | 4V1F | BQ1 | None |
3 | 5N8V | KZZ | None |
4 | 4MGD | 27N | None |
5 | 5DXE | EST | None |
6 | 3UUD | EST | None |
7 | 5HYR | EST | None |
8 | 5WGD | EST | None |
9 | 5WGQ | EST | None |
10 | 2QA8 | GEN | None |
11 | 4TV1 | 36M | None |
12 | 5ET3 | 60C | None |
13 | 5DXG | EST | None |
14 | 4TUZ | 36J | None |
15 | 4MGB | XDH | None |
16 | 3UUA | 0CZ | None |
17 | 5DX3 | EST | None |
18 | 4MG7 | 27H | None |
19 | 3RET | PYR | None |
20 | 2QZO | KN1 | None |
21 | 4MG8 | 27J | None |
22 | 3GXZ | BMA MAN MAN MAN | None |
23 | 2Q1H | AS4 | 0.847458 |
24 | 2YJD | YJD | 1.27119 |
25 | 3OLL | EST | 1.27119 |
26 | 1U3R | 338 | 1.27119 |
27 | 4J26 | EST | 1.27119 |
28 | 3PMA | SCR | 1.27119 |
29 | 1M2Z | BOG | 1.69492 |
30 | 4DE3 | DN8 | 1.69492 |
31 | 1TV5 | N8E | 1.69492 |
32 | 3O03 | GCO | 1.69492 |
33 | 3RY9 | 1CA | 1.69492 |
34 | 1NHZ | 486 | 1.69492 |
35 | 3CHT | 4NB | 2.11864 |
36 | 1E4I | NFG | 2.11864 |
37 | 1OYJ | GSH | 2.1645 |
38 | 2PW0 | TRC | 2.54237 |
39 | 3LA3 | 2FT | 2.54237 |
40 | 2XHK | AKG | 2.7027 |
41 | 3MG9 | GHP 3MY 3FG GHP GHP OMY 3FG | 2.72109 |
42 | 3GUZ | PAF | 2.84091 |
43 | 6DIO | CIT | 2.9661 |
44 | 1YYE | 196 | 2.9661 |
45 | 4V3I | ASP LEU THR ARG PRO | 3.38983 |
46 | 3T3Z | 9PL | 3.38983 |
47 | 4YKI | GLY | 3.38983 |
48 | 3KU0 | ADE | 3.38983 |
49 | 2XDQ | MGX | 3.38983 |
50 | 3KVY | URA | 3.38983 |
51 | 1XX4 | BAM | 3.81356 |
52 | 5XJ7 | 87O | 3.9801 |
53 | 3N7S | 3N7 | 4.16667 |
54 | 4BTB | PRO PRO PRO PRO PRO PRO PRO PRO PRO | 4.23729 |
55 | 1N46 | PFA | 4.23729 |
56 | 1PCA | CIT | 4.23729 |
57 | 5I8F | ML1 | 4.24242 |
58 | 2CB8 | MYA | 4.5977 |
59 | 1J78 | OLA | 4.66102 |
60 | 3RG9 | WRA | 4.66102 |
61 | 5X13 | HC4 | 4.78723 |
62 | 5X3R | 7Y3 | 4.87805 |
63 | 1CBK | ROI | 5 |
64 | 1H0A | I3P | 5.06329 |
65 | 3O01 | DXC | 5.08475 |
66 | 5OLK | DTP | 5.08475 |
67 | 1M3U | KPL | 5.08475 |
68 | 5AZC | PGT | 5.08475 |
69 | 5EOO | CIT | 5.50847 |
70 | 3EHG | ATP | 6.25 |
71 | 1XVB | 3BR | 6.35593 |
72 | 4MRP | GSH | 6.35593 |
73 | 5JWC | 4W0 | 6.35593 |
74 | 2BJ4 | OHT | 6.35593 |
75 | 2BHW | NEX | 6.46552 |
76 | 3NB0 | G6P | 6.77966 |
77 | 2WR1 | NAG | 6.77966 |
78 | 4F4P | 0SB | 6.77966 |
79 | 1LTT | GAL BGC | 6.79612 |
80 | 5N26 | CPT | 7.14286 |
81 | 4G86 | BNT | 7.20339 |
82 | 5XQL | C2E | 7.20339 |
83 | 5Z3I | ADE | 7.20339 |
84 | 5N1X | 8HH | 7.62712 |
85 | 1EWF | PC1 | 7.62712 |
86 | 4A7W | GTP | 7.62712 |
87 | 3EHH | ADP | 7.79817 |
88 | 1HBK | MYR | 7.86517 |
89 | 1O68 | KIV | 8 |
90 | 2H7C | SIA | 8.05085 |
91 | 2JAP | J01 | 8.47458 |
92 | 2OG2 | MLI | 8.47458 |
93 | 5IUY | BOG | 8.60927 |
94 | 6GMN | F4E | 8.64198 |
95 | 4OIV | XX9 | 8.84956 |
96 | 5OCA | 9QZ | 8.8983 |
97 | 4OGQ | UMQ | 8.8983 |
98 | 6BR8 | 6OU | 9.32203 |
99 | 3FAL | REA | 9.74576 |
100 | 1FX8 | BOG | 9.74576 |
101 | 1DTL | BEP | 10.559 |
102 | 3LN9 | FLC | 12.2302 |
103 | 2HHP | FLC | 12.7119 |
104 | 4F4S | EFO | 13.1579 |
105 | 5OSW | DIU | 13.5593 |
106 | 2WOR | 2AN | 14 |
107 | 4WGF | HX2 | 14.6341 |
108 | 2BCG | GER | 14.8305 |
109 | 2HFK | E4H | 15.9875 |
110 | 3RV5 | DXC | 21.3483 |
111 | 3KPE | TM3 | 31.3725 |