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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 1331 families. | |||||
1 | 4REI | - | 3MV | C11 H24 | CC[C@@H](C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 4REI | - | 3MV | C11 H24 | CC[C@@H](C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 3MV | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 2EH | 0.9297 |
2 | SC2 | 0.9286 |
3 | GLY CYS | 0.9143 |
4 | PEP | 0.9119 |
5 | LEU | 0.9106 |
6 | OAA | 0.9081 |
7 | 2D8 | 0.9061 |
8 | IOM | 0.9060 |
9 | 2PG | 0.9053 |
10 | MLE | 0.9042 |
11 | AKG | 0.9028 |
12 | GLU | 0.9027 |
13 | C4L | 0.9016 |
14 | SYM | 0.9002 |
15 | G2H | 0.8987 |
16 | MET | 0.8979 |
17 | GLY ALA | 0.8965 |
18 | AL0 | 0.8961 |
19 | JYD | 0.8959 |
20 | LYS | 0.8947 |
21 | DLY | 0.8944 |
22 | DGL | 0.8939 |
23 | ICT | 0.8932 |
24 | MLT | 0.8927 |
25 | 4WK | 0.8926 |
26 | 3LR | 0.8925 |
27 | ALA ALA | 0.8925 |
28 | MED | 0.8925 |
29 | K6V | 0.8919 |
30 | HL5 | 0.8904 |
31 | HIS | 0.8903 |
32 | PZI | 0.8900 |
33 | 2IT | 0.8894 |
34 | ASP | 0.8889 |
35 | GLN | 0.8887 |
36 | DAL DAL | 0.8886 |
37 | OEM | 0.8879 |
38 | 3PG | 0.8866 |
39 | CDV | 0.8860 |
40 | ONL | 0.8859 |
41 | CCB | 0.8858 |
42 | ISZ | 0.8854 |
43 | SEP | 0.8846 |
44 | AN0 | 0.8844 |
45 | XSP | 0.8839 |
46 | ORN | 0.8827 |
47 | ICF | 0.8825 |
48 | ORO | 0.8823 |
49 | GLY PRO | 0.8821 |
50 | RNT | 0.8809 |
51 | G3P | 0.8808 |
52 | MSE | 0.8805 |
53 | ZGL | 0.8802 |
54 | 9ON | 0.8800 |
55 | 8SZ | 0.8799 |
56 | AVI | 0.8780 |
57 | PPR | 0.8777 |
58 | GP9 | 0.8776 |
59 | DAS | 0.8774 |
60 | 791 | 0.8772 |
61 | AFS | 0.8764 |
62 | B2J | 0.8755 |
63 | SPV | 0.8751 |
64 | IPM | 0.8749 |
65 | GTK | 0.8748 |
66 | SDD | 0.8745 |
67 | GRO | 0.8740 |
68 | SER THR | 0.8739 |
69 | 2AL | 0.8735 |
70 | PSJ | 0.8725 |
71 | 8OZ | 0.8720 |
72 | OSE | 0.8717 |
73 | LY0 | 0.8716 |
74 | DIR | 0.8713 |
75 | AOS | 0.8712 |
76 | HPV | 0.8712 |
77 | DOR | 0.8711 |
78 | 13P | 0.8703 |
79 | PEZ | 0.8703 |
80 | 069 | 0.8694 |
81 | 7C3 | 0.8692 |
82 | PRZ | 0.8692 |
83 | FLC | 0.8689 |
84 | GLO | 0.8686 |
85 | TEO | 0.8684 |
86 | J9T | 0.8683 |
87 | DGN | 0.8681 |
88 | 3MF | 0.8678 |
89 | NLP | 0.8670 |
90 | MTL | 0.8670 |
91 | GGL | 0.8663 |
92 | QUS | 0.8662 |
93 | 3OC | 0.8662 |
94 | ASN | 0.8655 |
95 | 173 | 0.8654 |
96 | I38 | 0.8654 |
97 | K6H | 0.8652 |
98 | GLY GLY | 0.8650 |
99 | NXA | 0.8646 |
100 | DDW | 0.8642 |
101 | SOR | 0.8630 |
102 | S2P | 0.8627 |
103 | I1E | 0.8626 |
104 | TIH | 0.8621 |
105 | RMN | 0.8620 |
106 | 2TQ | 0.8619 |
107 | SAF | 0.8613 |
108 | MEQ | 0.8613 |
109 | GBN | 0.8602 |
110 | 0OC | 0.8594 |
111 | R67 | 0.8591 |
112 | UN1 | 0.8591 |
113 | CRN | 0.8586 |
114 | SHI | 0.8581 |
115 | KJM | 0.8581 |
116 | S2G | 0.8581 |
117 | 8GL | 0.8580 |
118 | 8EW | 0.8569 |
119 | 45L | 0.8567 |
120 | 4CS | 0.8565 |
121 | BRR | 0.8565 |
122 | TRA | 0.8559 |
123 | DMO | 0.8549 |
124 | 1GP | 0.8527 |
125 | DHI | 0.8525 |
126 | HL4 | 0.8524 |
127 | RJY | 0.8512 |
This union binding pocket(no: 1) in the query (biounit: 4rei.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |