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- Structure Biounit | Ligand Information
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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 | 1EB9 | - | HBA | C7 H6 O2 | c1cc(ccc1C.... |
2 | 1E8D | - | CNH | C4 H7 N O | CC(C)(C#N).... |
3 | 1DWQ | - | ATO | C3 H5 Cl O | CC(=O)CCl |
4 | 1YAS | - | HIS | C6 H10 N3 O2 | c1c([nH+]c.... |
5 | 1YB7 | - | ICN | C6 H11 N O | CC(C)[C@@].... |
6 | 1SC9 | - | CNH | C4 H7 N O | CC(C)(C#N).... |
7 | 1YB6 | - | MNN | C8 H7 N O | c1ccc(cc1).... |
8 | 5YAS | Ki = 0.55 mM | FAC | C3 H2 F6 O2 | C(C(F)(F)F.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1EB9 | - | HBA | C7 H6 O2 | c1cc(ccc1C.... |
2 | 1E8D | - | CNH | C4 H7 N O | CC(C)(C#N).... |
3 | 1DWQ | - | ATO | C3 H5 Cl O | CC(=O)CCl |
4 | 1YAS | - | HIS | C6 H10 N3 O2 | c1c([nH+]c.... |
5 | 1YB7 | - | ICN | C6 H11 N O | CC(C)[C@@].... |
6 | 1SC9 | - | CNH | C4 H7 N O | CC(C)(C#N).... |
7 | 1YB6 | - | MNN | C8 H7 N O | c1ccc(cc1).... |
8 | 5YAS | Ki = 0.55 mM | FAC | C3 H2 F6 O2 | C(C(F)(F)F.... |
9 | 1Y7I | Kd = 90 nM | SAL | C7 H6 O3 | c1ccc(c(c1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | FAC | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 911 | 0.9467 |
2 | PAV | 0.9300 |
3 | BFM | 0.9297 |
4 | FLA | 0.9278 |
5 | 23B | 0.9201 |
6 | QFH | 0.9160 |
7 | WTZ | 0.9157 |
8 | PBE | 0.9112 |
9 | TLA | 0.9105 |
10 | GG6 | 0.9056 |
11 | 9TY | 0.9041 |
12 | DMV | 0.9039 |
13 | CNL | 0.9034 |
14 | DAS | 0.9034 |
15 | OFQ | 0.9029 |
16 | SVJ | 0.9025 |
17 | PAF | 0.9023 |
18 | RSF | 0.8998 |
19 | TMH | 0.8987 |
20 | LMR | 0.8986 |
21 | AC5 | 0.8976 |
22 | CAM | 0.8968 |
23 | THR | 0.8947 |
24 | ACH | 0.8943 |
25 | CAE | 0.8941 |
26 | OAF | 0.8938 |
27 | RBL | 0.8936 |
28 | TAR | 0.8932 |
29 | VAL | 0.8921 |
30 | 1DQ | 0.8913 |
31 | MLT | 0.8907 |
32 | HZP | 0.8902 |
33 | ASP | 0.8901 |
34 | SRT | 0.8888 |
35 | 0MK | 0.8882 |
36 | I2M | 0.8881 |
37 | RUU | 0.8881 |
38 | OAA | 0.8876 |
39 | ADO | 0.8875 |
40 | ASN | 0.8872 |
41 | DXX | 0.8865 |
42 | KPL | 0.8864 |
43 | RIP | 0.8853 |
44 | 192 | 0.8851 |
45 | LEU | 0.8846 |
46 | PEP | 0.8841 |
47 | THE | 0.8841 |
48 | 308 | 0.8838 |
49 | YHO | 0.8835 |
50 | AI2 | 0.8833 |
51 | RIB | 0.8830 |
52 | LRH | 0.8829 |
53 | GLU | 0.8829 |
54 | BDR | 0.8802 |
55 | CGB | 0.8795 |
56 | XLS | 0.8790 |
57 | KIV | 0.8785 |
58 | FUB | 0.8780 |
59 | SIN | 0.8779 |
60 | HYP | 0.8774 |
61 | FUF | 0.8773 |
62 | XYP | 0.8772 |
63 | FUL | 0.8768 |
64 | CAH | 0.8762 |
65 | SOE | 0.8761 |
66 | 4PW | 0.8759 |
67 | 1U5 | 0.8758 |
68 | PRO | 0.8755 |
69 | NHC | 0.8755 |
70 | TFB | 0.8751 |
71 | PCA | 0.8748 |
72 | UYA | 0.8745 |
73 | 3DY | 0.8744 |
74 | HY3 | 0.8742 |
75 | 2AS | 0.8740 |
76 | PPV | 0.8740 |
77 | ICF | 0.8739 |
78 | Z6J | 0.8734 |
79 | TCM | 0.8733 |
80 | AKB | 0.8733 |
81 | 2PN | 0.8710 |
82 | ARA | 0.8702 |
83 | ARB | 0.8700 |
84 | ALO | 0.8699 |
85 | LDU | 0.8697 |
86 | XYS | 0.8697 |
87 | RAM | 0.8695 |
88 | PGA | 0.8692 |
89 | YTB | 0.8691 |
90 | ADE | 0.8689 |
91 | 6HQ | 0.8686 |
92 | SNE | 0.8682 |
93 | XUL | 0.8679 |
94 | ABE | 0.8679 |
95 | CP | 0.8673 |
96 | POP | 0.8670 |
97 | 2BN | 0.8660 |
98 | FUC | 0.8654 |
99 | ADM | 0.8650 |
100 | MAE | 0.8647 |
101 | 98J | 0.8632 |
102 | IOM | 0.8623 |
103 | CRN | 0.8621 |
104 | PAE | 0.8620 |
105 | BDF | 0.8619 |
106 | ENL | 0.8619 |
107 | TNE | 0.8618 |
108 | 3V4 | 0.8617 |
109 | 3PG | 0.8617 |
110 | ITN | 0.8612 |
111 | DFU | 0.8610 |
112 | GLL | 0.8607 |
113 | VAH | 0.8601 |
114 | HIO | 0.8601 |
115 | DPR | 0.8597 |
116 | ILE | 0.8595 |
117 | MAK | 0.8591 |
118 | 0CT | 0.8591 |
119 | BMA | 0.8590 |
120 | PTO | 0.8580 |
121 | FCN | 0.8580 |
122 | OEM | 0.8577 |
123 | CIZ | 0.8572 |
124 | 8EZ | 0.8570 |
125 | HSE | 0.8563 |
126 | 2PG | 0.8561 |
127 | GVH | 0.8561 |
128 | 0R1 | 0.8552 |
129 | NCM | 0.8550 |
130 | SEJ | 0.8550 |
131 | BZI | 0.8548 |
132 | BZF | 0.8546 |
133 | BAE | 0.8536 |
134 | LZ1 | 0.8531 |
This union binding pocket(no: 1) in the query (biounit: 5yas.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5yas.bio3) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 5yas.bio3) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 5yas.bio2) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 5yas.bio2) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |