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- Structure Biounit | Ligand Information
- 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 | 4FMX | - | CNL | C10 H18 O | CC1(C2CCC(.... |
2 | 4L6G | Kd = 161 uM | CNL | C10 H18 O | CC1(C2CCC(.... |
3 | 3BDZ | - | MLI | C3 H2 O4 | C(C(=O)[O-.... |
4 | 4LHT | Kd = 161 uM | CNL | C10 H18 O | CC1(C2CCC(.... |
5 | 1T2B | - | CNL | C10 H18 O | CC1(C2CCC(.... |
6 | 4FYZ | - | CNL | C10 H18 O | CC1(C2CCC(.... |
7 | 4L77 | Kd = 12.6 uM | CNL | C10 H18 O | CC1(C2CCC(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4FMX | - | CNL | C10 H18 O | CC1(C2CCC(.... |
2 | 4L6G | Kd = 161 uM | CNL | C10 H18 O | CC1(C2CCC(.... |
3 | 3BDZ | - | MLI | C3 H2 O4 | C(C(=O)[O-.... |
4 | 4LHT | Kd = 161 uM | CNL | C10 H18 O | CC1(C2CCC(.... |
5 | 1T2B | - | CNL | C10 H18 O | CC1(C2CCC(.... |
6 | 4FYZ | - | CNL | C10 H18 O | CC1(C2CCC(.... |
7 | 4L77 | Kd = 12.6 uM | CNL | C10 H18 O | CC1(C2CCC(.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | CNL | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 308 | 0.9565 |
2 | 2BN | 0.9444 |
3 | TMH | 0.9436 |
4 | CAH | 0.9364 |
5 | HZP | 0.9325 |
6 | CAM | 0.9324 |
7 | RUU | 0.9318 |
8 | LFR | 0.9279 |
9 | LRH | 0.9263 |
10 | TLA | 0.9233 |
11 | AHR | 0.9220 |
12 | FRU | 0.9201 |
13 | UYA | 0.9180 |
14 | QFH | 0.9168 |
15 | 34V | 0.9163 |
16 | 23B | 0.9153 |
17 | PAV | 0.9146 |
18 | ADO | 0.9141 |
19 | CAE | 0.9140 |
20 | ADM | 0.9134 |
21 | DZX | 0.9133 |
22 | WTZ | 0.9128 |
23 | AC5 | 0.9127 |
24 | TCM | 0.9116 |
25 | XYP | 0.9087 |
26 | FUB | 0.9086 |
27 | BFM | 0.9086 |
28 | MLT | 0.9080 |
29 | FUL | 0.9071 |
30 | BDR | 0.9067 |
31 | SNE | 0.9065 |
32 | LMR | 0.9065 |
33 | RIB | 0.9057 |
34 | PBE | 0.9055 |
35 | R1X | 0.9047 |
36 | Z6J | 0.9046 |
37 | GLU | 0.9045 |
38 | SF6 | 0.9044 |
39 | FAC | 0.9034 |
40 | 4PW | 0.9029 |
41 | DAS | 0.9020 |
42 | BMA | 0.9015 |
43 | ASP | 0.9005 |
44 | SVJ | 0.9005 |
45 | XYS | 0.9003 |
46 | OFQ | 0.9001 |
47 | NCM | 0.8989 |
48 | RIM | 0.8978 |
49 | EU7 | 0.8977 |
50 | AI2 | 0.8975 |
51 | TAR | 0.8971 |
52 | PAF | 0.8965 |
53 | SRT | 0.8961 |
54 | 5HY | 0.8946 |
55 | BDF | 0.8943 |
56 | ASN | 0.8941 |
57 | 0MK | 0.8937 |
58 | RIP | 0.8928 |
59 | DIG | 0.8928 |
60 | FPK | 0.8921 |
61 | RBL | 0.8916 |
62 | YHO | 0.8909 |
63 | GLC | 0.8908 |
64 | 8EZ | 0.8908 |
65 | IFL | 0.8907 |
66 | BGC | 0.8890 |
67 | VAH | 0.8884 |
68 | ROR | 0.8875 |
69 | PTO | 0.8873 |
70 | DMJ | 0.8840 |
71 | XLS | 0.8831 |
72 | DMV | 0.8827 |
73 | 3SY | 0.8819 |
74 | 3DY | 0.8815 |
75 | PCA | 0.8808 |
76 | TNE | 0.8801 |
77 | SIN | 0.8795 |
78 | FUF | 0.8788 |
79 | RAM | 0.8788 |
80 | 3PG | 0.8786 |
81 | GLL | 0.8785 |
82 | OEM | 0.8781 |
83 | 6JN | 0.8780 |
84 | HSE | 0.8780 |
85 | ILE | 0.8779 |
86 | FLA | 0.8776 |
87 | ENL | 0.8771 |
88 | TFB | 0.8770 |
89 | XXR | 0.8768 |
90 | PRO | 0.8765 |
91 | XUL | 0.8765 |
92 | GCS | 0.8763 |
93 | RSF | 0.8762 |
94 | 1U5 | 0.8761 |
95 | HYP | 0.8749 |
96 | 2PN | 0.8747 |
97 | CGB | 0.8745 |
98 | MAN | 0.8742 |
99 | KPL | 0.8739 |
100 | K6H | 0.8739 |
101 | RB0 | 0.8738 |
102 | ICN | 0.8735 |
103 | URQ | 0.8735 |
104 | SEJ | 0.8733 |
105 | 6HQ | 0.8732 |
106 | N8P | 0.8727 |
107 | ARB | 0.8724 |
108 | AKG | 0.8720 |
109 | 13P | 0.8718 |
110 | ABE | 0.8712 |
111 | 192 | 0.8711 |
112 | N7P | 0.8709 |
113 | CP | 0.8707 |
114 | 8EW | 0.8702 |
115 | IT9 | 0.8697 |
116 | MEV | 0.8690 |
117 | H76 | 0.8688 |
118 | IPM | 0.8684 |
119 | PRS | 0.8683 |
120 | PPV | 0.8683 |
121 | DPR | 0.8683 |
122 | OAA | 0.8682 |
123 | FLC | 0.8664 |
124 | O7U | 0.8661 |
125 | DPF | 0.8654 |
126 | FUC | 0.8652 |
127 | NHC | 0.8651 |
128 | 98J | 0.8648 |
129 | 4RW | 0.8647 |
130 | CAX | 0.8641 |
131 | 40O | 0.8638 |
132 | DXX | 0.8632 |
133 | VAL | 0.8622 |
134 | IQ0 | 0.8607 |
135 | 3ZQ | 0.8606 |
136 | THR | 0.8605 |
137 | GLA | 0.8592 |
138 | IOM | 0.8574 |
139 | 0OC | 0.8570 |
140 | CIT | 0.8569 |
141 | FMS | 0.8561 |
142 | 2PG | 0.8534 |
143 | AOS | 0.8525 |
This union binding pocket(no: 1) in the query (biounit: 4l77.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4l77.bio2) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |