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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 12 families. | |||||
1 | 5OW8 | ic50 = 6.9 uM | AYN | C16 H11 F3 N2 O | c1ccc2c(c1.... |
2 | 4UY1 | ic50 = 20 uM | TJM | C10 H11 N3 O S | Cc1cc(c(s1.... |
3 | 5OWC | ic50 = 0.026 uM | AYZ | C19 H15 F3 N2 O4 | c1cc(cc(c1.... |
4 | 5G3M | ic50 = 24 uM | 9JH | C14 H13 N O | c1ccc(cc1).... |
5 | 6G5J | ic50 = 15 nM | EM8 | C20 H17 F3 N2 O4 | C[C@H](CC(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 7 families. | |||||
1 | 1U4J | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
2 | 4YU7 | - | DHC | C9 H8 O4 | c1cc(c(cc1.... |
3 | 3MLM | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
4 | 3CXI | - | VIT | C29 H50 O2 | Cc1c(c2c(c.... |
5 | 1XXS | - | STE | C18 H36 O2 | CCCCCCCCCC.... |
6 | 3CYL | - | VIT | C29 H50 O2 | Cc1c(c2c(c.... |
7 | 6B81 | - | OCA | C8 H16 O2 | CCCCCCCC(=.... |
8 | 6DIK | - | GKP | C22 H18 O12 | c1c(cc(c(c.... |
9 | 6B80 | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
10 | 5VFJ | Kd = 20 uM | DHC | C9 H8 O4 | c1cc(c(cc1.... |
11 | 6B83 | - | 6NA | C6 H12 O2 | CCCCCC(=O).... |
12 | 4YV5 | Kd = 6.2 uM | SVR | C51 H40 N6 O23 S6 | Cc1ccc(cc1.... |
13 | 4YZ7 | - | 9AR | C17 H11 N O8 | COc1c(ccc2.... |
14 | 3QNL | - | ROA | C18 H16 O8 | c1cc(c(cc1.... |
15 | 1Y4L | - | SVR | C51 H40 N6 O23 S6 | Cc1ccc(cc1.... |
16 | 1FDK | - | GLE | C16 H32 F3 O6 P | CCCCCCCCCC.... |
17 | 1MKV | - | GEL | C20 H45 N O8 P2 | CCCCCCCCOC.... |
18 | 2B96 | - | ANN | C8 H8 O3 | COc1ccc(cc.... |
19 | 5OW8 | ic50 = 6.9 uM | AYN | C16 H11 F3 N2 O | c1ccc2c(c1.... |
20 | 4UY1 | ic50 = 20 uM | TJM | C10 H11 N3 O S | Cc1cc(c(s1.... |
21 | 5OWC | ic50 = 0.026 uM | AYZ | C19 H15 F3 N2 O4 | c1cc(cc(c1.... |
22 | 5G3M | ic50 = 24 uM | 9JH | C14 H13 N O | c1ccc(cc1).... |
23 | 2AZY | - | CHD | C24 H40 O5 | C[C@H](CCC.... |
24 | 1HN4 | Kd = 0.15 mM | MJI | C22 H44 F3 O6 P | CCCCCCCCCC.... |
25 | 2B01 | - | TUD | C26 H45 N O6 S | C[C@H](CCC.... |
26 | 1Y6O | - | MJI | C22 H44 F3 O6 P | CCCCCCCCCC.... |
27 | 2AZZ | - | TCH | C26 H45 N O7 S | C[C@H](CCC.... |
28 | 2B04 | - | CHO | C26 H43 N O5 | C[C@H](CCC.... |
29 | 2B00 | - | GCH | C26 H43 N O6 | C[C@H](CCC.... |
30 | 5P2P | - | DHG | C20 H42 N O6 P | CCCCCCCCCC.... |
31 | 3O4M | - | CAQ | C6 H6 O2 | c1ccc(c(c1.... |
32 | 2B03 | - | TUD | C26 H45 N O6 S | C[C@H](CCC.... |
33 | 1L8S | - | LPE | C26 H57 N O6 P | CCCCCCCCCC.... |
34 | 1FXF | - | MJI | C22 H44 F3 O6 P | CCCCCCCCCC.... |
35 | 1FX9 | - | MJI | C22 H44 F3 O6 P | CCCCCCCCCC.... |
36 | 3QLM | Ki = 15.8 uM | PLM | C16 H32 O2 | CCCCCCCCCC.... |
37 | 1POE | - | GEL | C20 H45 N O8 P2 | CCCCCCCCOC.... |
38 | 1DB4 | - | 8IN | C21 H25 N2 O5 P | Cc1c(c2cc(.... |
39 | 1KQU | - | BR4 | C25 H33 N O3 | c1ccc(cc1).... |
40 | 5G3N | ic50 = 0.012 uM | X28 | C23 H21 N O3 | c1ccc(cc1).... |
41 | 1KVO | ic50 = 0.013 uM | OAP | C31 H37 N O3 S | c1ccc(cc1).... |
42 | 1J1A | ic50 = 0.029 uM | BHP | C31 H37 N O4 | c1ccc(cc1).... |
43 | 6CE2 | Kd = 0.5 uM | SVR | C51 H40 N6 O23 S6 | Cc1ccc(cc1.... |
44 | 2QVD | Kd = 0.00000145 M | BER | C20 H18 N O4 | COc1ccc2cc.... |
45 | 1ZWP | - | NIM | C13 H12 N2 O5 S | CS(=O)(=O).... |
46 | 1OXL | - | IDA | C15 H18 N2 O3 | CCCc1cc2cc.... |
47 | 1TG4 | - | PHE LEU ALA TYR LYS | n/a | n/a |
48 | 1SKG | - | VAL ALA PHE ARG SER | n/a | n/a |
49 | 1JQ9 | Kd = 3.57 nM | PHE LEU SER TYR LYS | n/a | n/a |
50 | 2ARM | Ki = 7.4 nM | OIN | C17 H23 N O3 | CN1[C@H]2C.... |
51 | 1FV0 | Kd = 1.18 uM | 9AR | C17 H11 N O8 | COc1c(ccc2.... |
52 | 1Q7A | Kd = 0.064 uM | OPB | C19 H20 N2 O3 | CCCC[C@H]1.... |
53 | 1TG1 | - | PHQ LEU VAL ARG TYR | n/a | n/a |
54 | 1ZYX | - | LCF | C23 H22 Cl N O2 | CC1(Cc2c(c.... |
55 | 1TJK | - | PHE LEU SER THR LYS | n/a | n/a |
56 | 1KPM | Ki = 1.59 uM | VIT | C29 H50 O2 | Cc1c(c2c(c.... |
57 | 1TP2 | - | TDA | C13 H26 O2 | CCCCCCCCCC.... |
58 | 1TDV | - | TYR TRP ALA ALA ALA ALA | n/a | n/a |
59 | 1TJ9 | - | VAL ALA ARG SER | n/a | n/a |
60 | 1JQ8 | Ki = 1.01 uM | LEU ALA ILE TYR SER | n/a | n/a |
61 | 1SQZ | - | PHQ ILE ALA ARG SER | n/a | n/a |
62 | 1TGM | - | AIN | C9 H8 O4 | CC(=O)Oc1c.... |
63 | 1ZR8 | - | AJM | C18 H22 N2 O2 | C[N@]1c2cc.... |
64 | 1TH6 | - | OIN | C17 H23 N O3 | CN1[C@H]2C.... |
65 | 1Y38 | - | G3P | C3 H9 O6 P | C([C@H](CO.... |
66 | 3H1X | Kd = 0.00000145 M | IMN | C19 H16 Cl N O4 | Cc1c(c2cc(.... |
67 | 1SXK | - | BHA | C7 H7 N O3 | c1cc(c(cc1.... |
68 | 1TK4 | - | ALA ILE ARG SER | n/a | n/a |
69 | 1SV3 | - | ANN | C8 H8 O3 | COc1ccc(cc.... |
70 | 5WZW | ic50 = 1.23 uM | U8D | C22 H27 N2 O5 P | CCc1c(c2cc.... |
71 | 5WZU | ic50 = 0.1 uM | 7W3 | C21 H17 F3 N2 O5 | Cc1c(c2c(n.... |
72 | 5WZT | ic50 = 0.22 uM | 7W6 | C20 H17 Br N2 O5 | Cc1c(c2c(n.... |
73 | 5WZS | ic50 = 0.28 uM | 7W9 | C24 H20 N2 O5 | Cc1c(c2c(n.... |
74 | 5Y5E | - | 7W3 | C21 H17 F3 N2 O5 | Cc1c(c2c(n.... |
75 | 5WZV | ic50 = 0.21 uM | 7W0 | C26 H22 N2 O5 | Cc1c(c2c(n.... |
76 | 6G5J | ic50 = 15 nM | EM8 | C20 H17 F3 N2 O4 | C[C@H](CC(.... |
77 | 2QHD | - | DAO | C12 H24 O2 | CCCCCCCCCC.... |
78 | 3BJW | - | SVR | C51 H40 N6 O23 S6 | Cc1ccc(cc1.... |
79 | 1S8G | - | DAO | C12 H24 O2 | CCCCCCCCCC.... |
80 | 1POB | - | GEL | C20 H45 N O8 P2 | CCCCCCCCOC.... |
81 | 1TD7 | Kd = 43 uM | NFL | C13 H9 F3 N2 O2 | c1cc(cc(c1.... |
82 | 1OXR | Kd = 0.00000145 M | AIN | C9 H8 O4 | CC(=O)Oc1c.... |
83 | 2WQ5 | Kd = 180 uM | MIY | C23 H27 N3 O7 | CN(C)c1ccc.... |
84 | 1MF4 | Ki = 10.2 nM | VAL ALA PHE ARG SER | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | TJM | 1 | 1 |
This union binding pocket(no: 1) in the query (biounit: 5owc.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4WG0 | CHD | None |
2 | 5Z3I | ADE | None |
3 | 1MID | LAP | None |
4 | 3KP6 | SAL | None |
5 | 3KU0 | ADE | None |
6 | 5X80 | SAL | None |
7 | 5ET3 | 60C | None |
8 | 4MNS | 2AX | None |
9 | 1NU4 | MLA | None |
10 | 4TV1 | 36M | None |
11 | 5N49 | 8LW | None |
12 | 4EXO | PYR | None |
13 | 1BWO | LPC | None |
14 | 2BHW | XAT | None |
15 | 2V57 | PRL | None |
16 | 5TPX | 7H7 | None |
17 | 2PR5 | FMN | None |
18 | 5DXG | EST | None |
19 | 2QZT | PLM | None |
20 | 2YLD | CMO | None |
21 | 6BR8 | PGV | None |
22 | 4V1F | BQ1 | None |
23 | 3LE7 | ADE | 1.63934 |
24 | 3BP1 | GUN | 1.63934 |
25 | 2WTN | FER | 1.63934 |
26 | 2GBB | CIT | 1.63934 |
27 | 6GG9 | FMN | 1.63934 |
28 | 1G5N | UAP SGN IDS SGN | 1.63934 |
29 | 4DNJ | ANN | 1.63934 |
30 | 3WUR | O4B | 1.63934 |
31 | 4UP4 | GAL NAG | 1.63934 |
32 | 5N81 | 8Q2 | 1.63934 |
33 | 2O1C | PPV | 2.45902 |
34 | 1QCI | ADE | 2.45902 |
35 | 3W54 | RNB | 2.45902 |
36 | 1XX4 | BAM | 2.45902 |
37 | 2Z6C | FMN | 2.45902 |
38 | 5FDZ | 5X0 | 2.52101 |
39 | 5SVV | FMN | 3.27869 |
40 | 3AQT | RCO | 3.27869 |
41 | 5X20 | AOT | 3.27869 |
42 | 1FNN | ADP | 3.27869 |
43 | 3FXU | TSU | 4.09836 |
44 | 4XNV | BUR | 4.09836 |
45 | 5EY9 | 5SV | 4.09836 |
46 | 3AI3 | SOE | 4.09836 |
47 | 3OKI | OKI | 4.09836 |
48 | 3RUU | 37G | 4.09836 |
49 | 1HE1 | AF3 | 4.09836 |
50 | 5OFW | 9TW | 4.09836 |
51 | 2ZSH | GA3 | 4.09836 |
52 | 4NJH | 2K8 | 4.09836 |
53 | 4NJH | SAM | 4.09836 |
54 | 4R38 | RBF | 4.09836 |
55 | 1U6R | ADP | 4.09836 |
56 | 3B99 | U51 | 4.09836 |
57 | 1RV1 | IMZ | 4.70588 |
58 | 5NM7 | GLY | 4.91803 |
59 | 3G5D | 1N1 | 4.91803 |
60 | 5OLK | DTP | 4.91803 |
61 | 1VKF | CIT | 4.91803 |
62 | 3SZB | I1E | 4.91803 |
63 | 2B56 | U5P | 4.91803 |
64 | 6CAY | ERG | 4.91803 |
65 | 4OHU | NAD | 4.91803 |
66 | 5FUS | DAO | 4.91803 |
67 | 5HCY | 60D | 4.91803 |
68 | 4OHU | 2TK | 4.91803 |
69 | 1GPM | AMP | 4.91803 |
70 | 2ZX2 | RAM | 4.91803 |
71 | 3T50 | FMN | 5.46875 |
72 | 1ECM | TSA | 5.50459 |
73 | 5MB4 | NAG | 5.7377 |
74 | 3HP9 | CF1 | 5.7377 |
75 | 1R6N | 434 | 5.7377 |
76 | 1RM0 | NAI | 5.7377 |
77 | 5MB4 | NDG | 5.7377 |
78 | 4ORM | ORO | 5.7377 |
79 | 4ORM | FMN | 5.7377 |
80 | 4ORM | 2V6 | 5.7377 |
81 | 2Y4O | DLL | 5.7377 |
82 | 3ZS7 | ATP | 5.7377 |
83 | 2C3H | GLC GLC | 6.12245 |
84 | 4RW3 | SHV | 6.55738 |
85 | 2HZL | PYR | 6.55738 |
86 | 1ZED | PNP | 6.55738 |
87 | 1T0S | BML | 6.55738 |
88 | 4K90 | MLA | 6.55738 |
89 | 5LX9 | OLB | 6.55738 |
90 | 1GVF | PGH | 6.55738 |
91 | 6BVM | EBV | 6.55738 |
92 | 6BVK | EAV | 6.55738 |
93 | 4URX | FK1 | 6.55738 |
94 | 3DTU | DXC | 6.55738 |
95 | 6BVJ | EAS | 6.55738 |
96 | 3EBL | GA4 | 6.55738 |
97 | 2C0U | FAD NBT | 6.55738 |
98 | 6BVI | EC4 | 6.55738 |
99 | 3ZQE | DXC | 7.37705 |
100 | 4E70 | N7I | 7.37705 |
101 | 2D09 | FLV | 7.37705 |
102 | 4LED | XXR | 7.37705 |
103 | 3PA8 | 621 | 7.37705 |
104 | 3NB0 | G6P | 7.37705 |
105 | 4MRP | GSH | 7.37705 |
106 | 3V1S | 0LH | 7.37705 |
107 | 4P5Z | Q7M | 7.37705 |
108 | 3D78 | NBB | 7.56302 |
109 | 1N8V | BDD | 8.03571 |
110 | 3MG9 | GHP 3MY 3FG GHP GHP OMY 3FG | 8.19672 |
111 | 2QES | ADE | 8.19672 |
112 | 3RWP | ABQ | 8.19672 |
113 | 4PVR | ASP | 8.19672 |
114 | 5OSW | DIU | 8.19672 |
115 | 1MRH | FMC | 8.19672 |
116 | 6B8O | PSF | 8.19672 |
117 | 1XZ3 | ICF | 9.01639 |
118 | 5MDH | MAK | 9.01639 |
119 | 4RKK | GLC GLC GLC GLC GLC GLC | 9.01639 |
120 | 1M2T | ADE | 9.01639 |
121 | 5EK3 | 5PK | 9.01639 |
122 | 4AG8 | AXI | 9.01639 |
123 | 5YJS | SAL | 9.01639 |
124 | 2XN3 | ID8 | 9.83607 |
125 | 3EWK | FAD | 9.83607 |
126 | 4WUJ | FMN | 9.83607 |
127 | 3BJC | WAN | 9.83607 |
128 | 5C9J | DAO | 10.101 |
129 | 4DDY | DN6 | 10.6557 |
130 | 2Y69 | CHD | 10.6557 |
131 | 2NGR | AF3 | 10.6557 |
132 | 6GBV | FMN | 10.6557 |
133 | 3RMK | BML | 10.8434 |
134 | 3D72 | FAD | 11.4754 |
135 | 3KXW | 1ZZ | 11.4754 |
136 | 4UCC | ZKW | 11.4754 |
137 | 3E7O | 35F | 11.4754 |
138 | 3DLS | ADP | 11.4754 |
139 | 5ZCO | CHD | 11.7647 |
140 | 5Z84 | CHD | 11.7647 |
141 | 1C1D | PHE | 12.2951 |
142 | 5IM3 | DTP | 13.1148 |
143 | 1P4V | GLY | 13.1148 |
144 | 3ZO7 | K6H | 13.8298 |
145 | 1PZO | CBT | 17.2131 |
146 | 5L2R | MLA | 17.2131 |
147 | 1XVB | BHL | 18.0328 |
148 | 1ZEI | CRS | 18.8679 |
149 | 1SDW | IYT | 22.1311 |
150 | 1UO4 | PIH | 41.1765 |
151 | 1UO5 | PIH | 41.1765 |
This union binding pocket(no: 2) in the query (biounit: 5owc.bio1) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4RSZ | CPT | None |
2 | 4XUB | 43D | None |
3 | 3SCH | TB6 | None |
4 | 4EES | FMN | None |
5 | 4UYE | 9F9 | None |
6 | 2IDO | TMP | None |
7 | 4EMV | 0R9 | None |
8 | 4IA6 | EIC | 2.45902 |
9 | 5ML0 | P2L | 2.72727 |
10 | 4GCZ | FMN | 3.27869 |
11 | 5HM3 | 649 | 4.09836 |
12 | 4REF | 3N0 | 4.09836 |
13 | 1JT2 | FER | 4.09836 |
14 | 5TWB | FAD | 4.91803 |
15 | 4ZM4 | PLP | 4.91803 |
16 | 2Z6D | FMN | 5.7377 |
17 | 5LWY | OLB | 6.55738 |
18 | 6BVL | EBY | 6.55738 |
19 | 2D5X | L35 | 6.55738 |
20 | 4RW3 | TDA | 6.55738 |
21 | 5UC1 | 486 | 6.55738 |
22 | 4MGA | 27L | 7.37705 |
23 | 4MG9 | 27K | 7.37705 |
24 | 1QX4 | FAD | 8.19672 |
25 | 1MT1 | AG2 | 8.84956 |
26 | 1YC4 | 43P | 9.01639 |
27 | 2XN5 | FUN | 9.83607 |
28 | 3KJQ | B94 | 11.4754 |
29 | 3IS2 | FAD | 12.2951 |
30 | 3NJQ | NJQ | 14.7541 |