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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 5 families. | |||||
1 | 1ZW5 | - | ZOL | C5 H10 N2 O7 P2 | c1cn(cn1)C.... |
2 | 1YV5 | - | RIS | C7 H11 N O7 P2 | c1cc(cnc1).... |
3 | 6N7Y | ic50 = 7.7 uM | KFA | C21 H20 N3 O3 P S | Cc1ccc(cc1.... |
4 | 4QXS | ic50 = 1.1 uM | WC1 | C21 H27 N O6 P2 | C[C@H](c1c.... |
5 | 4P0V | - | ZOL | C5 H10 N2 O7 P2 | c1cn(cn1)C.... |
6 | 2F92 | - | AHD | C4 H9 N O7 P2 | C(CC(O)(P(.... |
7 | 5JUZ | ic50 = 3 uM | YL4 | C22 H20 N3 O4 P S | Cc1ccc(cc1.... |
8 | 4RXA | ic50 = 1.8 uM | 3F2 | C32 H28 N6 O2 | c1cc(cc(c1.... |
9 | 3N49 | ic50 = 7 uM | 3N4 | C14 H10 O2 S | c1ccc2c(c1.... |
10 | 5JV2 | ic50 ~ 100 uM | 6O3 | C14 H13 N2 O3 P S | Cc1ccc(cc1.... |
11 | 3N5J | ic50 = 6 uM | GO1 | C11 H7 Cl2 N O4 | c1c(cc(c2c.... |
12 | 2F9K | - | ZOL | C5 H10 N2 O7 P2 | c1cn(cn1)C.... |
13 | 3N45 | - | PO4 | O4 P | [O-]P(=O)(.... |
14 | 4LPH | Kd = 9.2 uM | YL3 | C14 H14 N3 O3 P S | Cc1ccc(cc1.... |
15 | 5JV1 | ic50 = 0.86 uM | YL6 | C21 H18 Cl F N3 O3 P S | Cc1ccc(cc1.... |
16 | 4LFV | - | YS4 | C15 H20 N2 O7 P2 | CC(C)Oc1cc.... |
17 | 4LPG | Kd = 55.6 uM | 1MV | C14 H15 N3 O6 P2 S | Cc1ccc(cc1.... |
18 | 2F94 | - | BFQ | C9 H23 N O7 P2 | CCCCC[N@](.... |
19 | 3N6K | Kd = 180 nM | BFH | C15 H11 N O4 | c1ccc2c(c1.... |
20 | 6OAH | ic50 = 1.5 uM | M2V | C21 H19 Cl N3 O3 P S | Cc1ccc(cc1.... |
21 | 5JV0 | ic50 = 1.1 uM | YL5 | C21 H19 F N3 O3 P S | Cc1ccc(cc1.... |
22 | 4H5E | Kd = 0.86 uM | YS4 | C15 H20 N2 O7 P2 | CC(C)Oc1cc.... |
23 | 3N5H | ic50 = 2 uM | GO0 | C11 H7 Cl2 N O4 | c1cc(c2c(c.... |
24 | 6OAG | ic50 = 3.7 uM | M2Y | C21 H19 Cl N3 O3 P S | Cc1ccc(cc1.... |
25 | 4H5D | Kd = 0.58 uM | YS4 | C15 H20 N2 O7 P2 | CC(C)Oc1cc.... |
26 | 2F8C | - | ZOL | C5 H10 N2 O7 P2 | c1cn(cn1)C.... |
27 | 4P0W | - | ZOL | C5 H10 N2 O7 P2 | c1cn(cn1)C.... |
28 | 3N46 | - | PO4 | O4 P | [O-]P(=O)(.... |
29 | 4P0X | - | 1WO | C20 H26 O3 | CC(C)C1=CC.... |
30 | 6N83 | ic50 = 0.54 uM | YL6 | C21 H18 Cl F N3 O3 P S | Cc1ccc(cc1.... |
31 | 4H5C | - | PO4 | O4 P | [O-]P(=O)(.... |
32 | 5DGN | ic50 = 1.2 uM | 59Y | C20 H13 N O2 | c1ccc2c(c1.... |
33 | 4DEM | ic50 = 28 nM | YS4 | C15 H20 N2 O7 P2 | CC(C)Oc1cc.... |
34 | 6N82 | ic50 = 1.1 uM | YF7 | C21 H18 Cl F N3 O3 P S | Cc1ccc(cc1.... |
35 | 3N1V | ic50 > 500 uM | 3N1 | C11 H9 Cl O2 S | Cc1c2cc(cc.... |
36 | 2OPM | - | NI9 | C7 H11 F N O7 P2 | c1cc(c[n+].... |
37 | 5JA0 | Kd = 5.3 uM | FPP | C15 H28 O7 P2 | CC(=CCC/C(.... |
38 | 1YQ7 | - | RIS | C7 H11 N O7 P2 | c1cc(cnc1).... |
39 | 1UBY | - | DMA | C5 H12 O7 P2 | CC(=CCO[P@.... |
40 | 1UBX | - | FPP | C15 H28 O7 P2 | CC(=CCC/C(.... |
41 | 1UBW | - | GPP | C10 H20 O7 P2 | CC(=CCC/C(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 1ZW5 | - | ZOL | C5 H10 N2 O7 P2 | c1cn(cn1)C.... |
2 | 1YV5 | - | RIS | C7 H11 N O7 P2 | c1cc(cnc1).... |
3 | 4RXA | ic50 = 1.8 uM | 3F2 | C32 H28 N6 O2 | c1cc(cc(c1.... |
4 | 3N49 | ic50 = 7 uM | 3N4 | C14 H10 O2 S | c1ccc2c(c1.... |
5 | 5JV2 | ic50 ~ 100 uM | 6O3 | C14 H13 N2 O3 P S | Cc1ccc(cc1.... |
6 | 3N5J | ic50 = 6 uM | GO1 | C11 H7 Cl2 N O4 | c1c(cc(c2c.... |
7 | 2F9K | - | ZOL | C5 H10 N2 O7 P2 | c1cn(cn1)C.... |
8 | 3N45 | - | PO4 | O4 P | [O-]P(=O)(.... |
9 | 4LPH | Kd = 9.2 uM | YL3 | C14 H14 N3 O3 P S | Cc1ccc(cc1.... |
10 | 5JV1 | ic50 = 0.86 uM | YL6 | C21 H18 Cl F N3 O3 P S | Cc1ccc(cc1.... |
11 | 4LFV | - | YS4 | C15 H20 N2 O7 P2 | CC(C)Oc1cc.... |
12 | 4LPG | Kd = 55.6 uM | 1MV | C14 H15 N3 O6 P2 S | Cc1ccc(cc1.... |
13 | 2F94 | - | BFQ | C9 H23 N O7 P2 | CCCCC[N@](.... |
14 | 3N6K | Kd = 180 nM | BFH | C15 H11 N O4 | c1ccc2c(c1.... |
15 | 6OAH | ic50 = 1.5 uM | M2V | C21 H19 Cl N3 O3 P S | Cc1ccc(cc1.... |
16 | 5JV0 | ic50 = 1.1 uM | YL5 | C21 H19 F N3 O3 P S | Cc1ccc(cc1.... |
17 | 4H5E | Kd = 0.86 uM | YS4 | C15 H20 N2 O7 P2 | CC(C)Oc1cc.... |
18 | 3N5H | ic50 = 2 uM | GO0 | C11 H7 Cl2 N O4 | c1cc(c2c(c.... |
19 | 6OAG | ic50 = 3.7 uM | M2Y | C21 H19 Cl N3 O3 P S | Cc1ccc(cc1.... |
20 | 4H5D | Kd = 0.58 uM | YS4 | C15 H20 N2 O7 P2 | CC(C)Oc1cc.... |
21 | 2F8C | - | ZOL | C5 H10 N2 O7 P2 | c1cn(cn1)C.... |
22 | 4P0W | - | ZOL | C5 H10 N2 O7 P2 | c1cn(cn1)C.... |
23 | 3N46 | - | PO4 | O4 P | [O-]P(=O)(.... |
24 | 4P0X | - | 1WO | C20 H26 O3 | CC(C)C1=CC.... |
25 | 6N83 | ic50 = 0.54 uM | YL6 | C21 H18 Cl F N3 O3 P S | Cc1ccc(cc1.... |
26 | 4H5C | - | PO4 | O4 P | [O-]P(=O)(.... |
27 | 5DGN | ic50 = 1.2 uM | 59Y | C20 H13 N O2 | c1ccc2c(c1.... |
28 | 4DEM | ic50 = 28 nM | YS4 | C15 H20 N2 O7 P2 | CC(C)Oc1cc.... |
29 | 6N82 | ic50 = 1.1 uM | YF7 | C21 H18 Cl F N3 O3 P S | Cc1ccc(cc1.... |
30 | 3N1V | ic50 > 500 uM | 3N1 | C11 H9 Cl O2 S | Cc1c2cc(cc.... |
31 | 2OPM | - | NI9 | C7 H11 F N O7 P2 | c1cc(c[n+].... |
32 | 5JA0 | Kd = 5.3 uM | FPP | C15 H28 O7 P2 | CC(=CCC/C(.... |
33 | 1YQ7 | - | RIS | C7 H11 N O7 P2 | c1cc(cnc1).... |
34 | 6B07 | - | C6M | C10 H18 N O6 P2 | CCC[N]1=C(.... |
35 | 6B04 | - | C6J | C8 H14 N O6 P2 | C[N]1=C(C=.... |
36 | 2Q58 | - | ZOL | C5 H10 N2 O7 P2 | c1cn(cn1)C.... |
37 | 3LDW | Ki = 10.7 nM | ZOL | C5 H10 N2 O7 P2 | c1cn(cn1)C.... |
38 | 3PH7 | - | GRG | C20 H36 O7 P2 | CC(=CCC/C(.... |
39 | 5HN7 | ic50 = 120 uM | 04M | C26 H35 N O7 S | CCCCCCCCOc.... |
40 | 5HN9 | ic50 = 50 uM | 04W | C24 H31 N O6 | CCCCCCCCCC.... |
41 | 6WW1 | - | 476 | C11 H20 N O6 P2 | CCCCc1ccc[.... |
42 | 4K10 | Kd = 119.5 nM | NI9 | C7 H11 F N O7 P2 | c1cc(c[n+].... |
43 | 1UBY | - | DMA | C5 H12 O7 P2 | CC(=CCO[P@.... |
44 | 1UBX | - | FPP | C15 H28 O7 P2 | CC(=CCC/C(.... |
45 | 1UBW | - | GPP | C10 H20 O7 P2 | CC(=CCC/C(.... |
46 | 4RXE | ic50 = 230 nM | 3YQ | C7 H12 N2 O6 P2 | Cc1cccnc1N.... |
47 | 2EWG | - | M0N | C9 H12 N2 O7 P2 | c1ccn2c(c1.... |
48 | 5AFX | ic50 = 1.2 uM | PVZ | C14 H29 N2 O7 P2 | CCCCCCCCCn.... |
49 | 3DYH | - | 721 | C11 H20 N O7 P2 | CCCCOc1ccc.... |
50 | 2I19 | - | 1BY | C7 H12 N2 O6 P2 | c1ccnc(c1).... |
51 | 3EGT | Ki = 1.26 nM | 722 | C14 H26 N O7 P2 | CCCCCCCOc1.... |
52 | 3EFQ | - | 714 | C15 H28 N O7 P2 | CCCCCCCCOc.... |
53 | 4RXD | ic50 = 300 nM | RIS | C7 H11 N O7 P2 | c1cc(cnc1).... |
54 | 4RXC | ic50 ~ 33 uM | HRX | C8 H13 N O7 P2 | c1cc(cnc1).... |
55 | 3DYG | - | NI9 | C7 H11 F N O7 P2 | c1cc(c[n+].... |
56 | 2P1C | Ki = 21 nM | GG3 | C14 H25 N O7 P2 | C[N@](CCCC.... |
57 | 4DXJ | ic50 = 38 nM | 0M9 | C5 H15 N O6 P2 | CCCNCC(P(=.... |
58 | 3ICN | - | NI9 | C7 H11 F N O7 P2 | c1cc(c[n+].... |
59 | 3ICK | - | M0N | C9 H12 N2 O7 P2 | c1ccn2c(c1.... |
60 | 4DWB | ic50 = 1840 nM | 0M7 | C7 H19 N O6 P2 | CCCCCNCC(P.... |
61 | 4DWG | ic50 = 58 nM | 0M8 | C9 H23 N O6 P2 | CCCCCCCNCC.... |
62 | 3ICM | - | P2H | C13 H16 N O7 P2 | c1ccc(cc1).... |
63 | 3ICZ | - | PB6 | C11 H18 N O6 P2 | CC/C=C/c1c.... |
64 | 1YHL | - | RIS | C7 H11 N O7 P2 | c1cc(cnc1).... |
65 | 3IBA | - | SO4 | O4 S | [O-]S(=O)(.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | YS4 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 2PN | 0.9993 |
2 | PIS | 0.9955 |
3 | MDN | 0.9931 |
4 | S0H | 0.9617 |
5 | CP | 0.9573 |
6 | TB6 | 0.9567 |
7 | FCN | 0.9559 |
8 | PCT | 0.9518 |
9 | LLQ | 0.9482 |
10 | PAE | 0.9472 |
11 | MPD | 0.9466 |
12 | SAT | 0.9425 |
13 | OPE | 0.9400 |
14 | 7VD | 0.9392 |
15 | 1GP | 0.9352 |
16 | G2H | 0.9331 |
17 | ACH | 0.9253 |
18 | PGA | 0.9250 |
19 | 0V5 | 0.9211 |
20 | PEQ | 0.9211 |
21 | 1DQ | 0.9158 |
22 | PPR | 0.9141 |
23 | PEP | 0.9127 |
24 | 3SL | 0.9118 |
25 | A20 | 0.9106 |
26 | GG6 | 0.9106 |
27 | G3H | 0.9091 |
28 | G3P | 0.9091 |
29 | PAH | 0.9090 |
30 | NMG | 0.9074 |
31 | PAF | 0.9058 |
32 | HX2 | 0.9054 |
33 | CHT | 0.9048 |
34 | 8X3 | 0.9048 |
35 | MLI | 0.9047 |
36 | MAE | 0.9040 |
37 | IVA | 0.9034 |
38 | SIN | 0.9028 |
39 | 4MV | 0.9024 |
40 | DMG | 0.9022 |
41 | MLA | 0.9022 |
42 | ODV | 0.9019 |
43 | COI | 0.9011 |
44 | LEU | 0.8993 |
45 | MLM | 0.8988 |
46 | LMR | 0.8983 |
47 | 3PP | 0.8980 |
48 | FLA | 0.8976 |
49 | HYP | 0.8968 |
50 | 2HE | 0.8963 |
51 | MLT | 0.8963 |
52 | ASP | 0.8961 |
53 | 3Q7 | 0.8961 |
54 | C5J | 0.8958 |
55 | 3HL | 0.8954 |
56 | EFS | 0.8947 |
57 | TAU | 0.8947 |
58 | ASN | 0.8946 |
59 | DCL | 0.8944 |
60 | 2PG | 0.8943 |
61 | AAE | 0.8939 |
62 | 13P | 0.8938 |
63 | DMV | 0.8934 |
64 | P22 | 0.8921 |
65 | UY7 | 0.8917 |
66 | ICF | 0.8915 |
67 | POA | 0.8914 |
68 | 1DV | 0.8914 |
69 | COM | 0.8910 |
70 | XPO | 0.8907 |
71 | THE | 0.8904 |
72 | 2RH | 0.8903 |
73 | UYA | 0.8893 |
74 | 911 | 0.8890 |
75 | P7I | 0.8890 |
76 | CMS | 0.8887 |
77 | I2M | 0.8884 |
78 | PRO | 0.8884 |
79 | SPV | 0.8883 |
80 | TFS | 0.8880 |
81 | FUM | 0.8879 |
82 | DS0 | 0.8873 |
83 | 3HR | 0.8873 |
84 | TEO | 0.8865 |
85 | HZP | 0.8859 |
86 | TLA | 0.8849 |
87 | XLS | 0.8848 |
88 | ALO | 0.8846 |
89 | VAL | 0.8844 |
90 | IPU | 0.8837 |
91 | SEP | 0.8834 |
92 | 98J | 0.8827 |
93 | 9X6 | 0.8816 |
94 | H95 | 0.8810 |
95 | TAR | 0.8808 |
96 | VX | 0.8804 |
97 | JYD | 0.8803 |
98 | IHG | 0.8799 |
99 | P2D | 0.8798 |
100 | KPL | 0.8797 |
101 | FJO | 0.8790 |
102 | 3PG | 0.8777 |
103 | ITN | 0.8771 |
104 | PMB | 0.8767 |
105 | XYL | 0.8759 |
106 | 2AS | 0.8757 |
107 | BTL | 0.8757 |
108 | HIO | 0.8756 |
109 | 2PC | 0.8753 |
110 | ETM | 0.8752 |
111 | THR | 0.8749 |
112 | DAS | 0.8748 |
113 | CIZ | 0.8747 |
114 | HDA | 0.8746 |
115 | TZC | 0.8740 |
116 | URP | 0.8737 |
117 | JBN | 0.8734 |
118 | GLU | 0.8712 |
119 | PYC | 0.8703 |
120 | GP9 | 0.8700 |
121 | O7U | 0.8696 |
122 | SRT | 0.8692 |
123 | CRN | 0.8690 |
124 | PRS | 0.8685 |
125 | TFB | 0.8676 |
126 | T2C | 0.8673 |
127 | FAC | 0.8670 |
128 | 7N0 | 0.8670 |
129 | SS2 | 0.8670 |
130 | FSG | 0.8669 |
131 | BAE | 0.8664 |
132 | KIV | 0.8656 |
133 | 40E | 0.8650 |
134 | ILE | 0.8649 |
135 | 2CO | 0.8646 |
136 | 9SB | 0.8641 |
137 | VAH | 0.8640 |
138 | RBL | 0.8639 |
139 | SMV | 0.8635 |
140 | FB2 | 0.8634 |
141 | FOA | 0.8629 |
142 | R67 | 0.8620 |
143 | 273 | 0.8620 |
144 | DTL | 0.8615 |
145 | ABU | 0.8613 |
146 | OAA | 0.8603 |
147 | IQ0 | 0.8602 |
148 | SSN | 0.8592 |
149 | HIS | 0.8588 |
150 | PPF | 0.8582 |
151 | LNO | 0.8579 |
152 | MAK | 0.8578 |
153 | 6PC | 0.8575 |
154 | C21 | 0.8571 |
155 | 1DU | 0.8570 |
156 | TP5 | 0.8570 |
157 | MRY | 0.8562 |
158 | JZ5 | 0.8552 |
159 | KVP | 0.8551 |
160 | HSM | 0.8529 |
This union binding pocket(no: 1) in the query (biounit: 4lpg.bio1) has 76 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3KRO | PPV | 30.8475 |
2 | 3KRO | PPV | 30.8475 |
3 | 6W7I | 476 | 49.5601 |
4 | 6VJC | 476 | 49.5601 |
5 | 6W7I | 476 | 49.5601 |
6 | 6VJC | 476 | 49.5601 |
7 | 4JZB | P2H | 49.5601 |
8 | 4JZX | 476 | 49.5601 |
9 | 4JZX | 476 | 49.5601 |
10 | 4JZB | P2H | 49.5601 |
This union binding pocket(no: 2) in the query (biounit: 4lpg.bio1) has 76 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |