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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 9 families. | |||||
1 | 2JC9 | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
2 | 2XJF | - | DG2 | C3 H8 O10 P2 | C([C@H](C(.... |
3 | 2XJE | - | U5P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
4 | 2XCV | - | IMP | C10 H13 N4 O8 P | c1nc2c(n1[.... |
5 | 2XJD | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
6 | 6DE2 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
7 | 2XCW | - | IMP | C10 H13 N4 O8 P | c1nc2c(n1[.... |
8 | 2XJC | - | B4P | C20 H28 N10 O19 P4 | c1nc(c2c(n.... |
9 | 6DDZ | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
10 | 2XJB | - | DTP | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
11 | 5OPK | - | DTP | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
12 | 5OPM | - | DTP | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 8 families. | |||||
1 | 2JC9 | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
2 | 2XJF | - | DG2 | C3 H8 O10 P2 | C([C@H](C(.... |
3 | 2XJE | - | U5P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
4 | 2XCV | - | IMP | C10 H13 N4 O8 P | c1nc2c(n1[.... |
5 | 2XJD | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
6 | 6DE2 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
7 | 2XCW | - | IMP | C10 H13 N4 O8 P | c1nc2c(n1[.... |
8 | 2XJC | - | B4P | C20 H28 N10 O19 P4 | c1nc(c2c(n.... |
9 | 6DDZ | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
10 | 2XJB | - | DTP | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
11 | 5OPK | - | DTP | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
12 | 5OPM | - | DTP | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DG2 | 1 | 1 |
2 | 2PG | 0.5625 | 0.939394 |
3 | PEZ | 0.529412 | 0.848485 |
4 | 3PG | 0.485714 | 0.909091 |
5 | PA5 | 0.475 | 0.911765 |
6 | R10 | 0.475 | 0.911765 |
7 | DEZ | 0.473684 | 0.911765 |
8 | DER | 0.473684 | 0.911765 |
9 | SEP | 0.459459 | 0.675 |
10 | 6PG | 0.452381 | 0.911765 |
11 | LG6 | 0.452381 | 0.911765 |
12 | 036 | 0.444444 | 0.857143 |
13 | 035 | 0.444444 | 0.857143 |
14 | 4TP | 0.414634 | 0.756098 |
15 | HMS | 0.404762 | 0.810811 |
16 | 5RP | 0.404762 | 0.810811 |
17 | 5SP | 0.404762 | 0.810811 |
18 | PEQ | 0.4 | 0.75 |
19 | 0V5 | 0.4 | 0.75 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | IMP | 1 | 1 |
2 | IDP | 0.824324 | 0.986111 |
3 | R7I | 0.759494 | 0.958904 |
4 | R5I | 0.759494 | 0.958904 |
5 | NOS | 0.724638 | 0.835616 |
6 | G | 0.609756 | 0.972603 |
7 | 5GP | 0.609756 | 0.972603 |
8 | DI | 0.578313 | 0.92 |
9 | SIB | 0.549451 | 0.772152 |
10 | 93A | 0.523256 | 0.841463 |
11 | GDP | 0.505495 | 0.959459 |
12 | GP3 | 0.494505 | 0.934211 |
13 | C2R | 0.493827 | 0.891892 |
14 | GTP | 0.489362 | 0.959459 |
15 | GP2 | 0.48913 | 0.922078 |
16 | GNH | 0.483871 | 0.946667 |
17 | G2P | 0.479167 | 0.922078 |
18 | AMZ | 0.47561 | 0.90411 |
19 | SNI | 0.475 | 0.8 |
20 | GMV | 0.473684 | 0.934211 |
21 | GAV | 0.469388 | 0.922078 |
22 | G1R | 0.46875 | 0.946667 |
23 | GCP | 0.46875 | 0.934211 |
24 | AIR | 0.468354 | 0.888889 |
25 | PRT | 0.466019 | 0.972222 |
26 | NIA | 0.464286 | 0.835443 |
27 | GSP | 0.463918 | 0.910256 |
28 | 9GM | 0.463918 | 0.934211 |
29 | GNP | 0.463918 | 0.934211 |
30 | AMP | 0.458824 | 0.90411 |
31 | A | 0.458824 | 0.90411 |
32 | 1RB | 0.458824 | 0.847222 |
33 | ALF 5GP | 0.458333 | 0.875 |
34 | 6SW | 0.456522 | 0.930556 |
35 | GDP BEF | 0.453608 | 0.921053 |
36 | RBZ | 0.453488 | 0.837838 |
37 | GPG | 0.45098 | 0.922078 |
38 | GTP MG | 0.44898 | 0.945946 |
39 | 7RP | 0.448276 | 0.888889 |
40 | GDD | 0.447619 | 0.922078 |
41 | GDC | 0.447619 | 0.922078 |
42 | GKE | 0.447619 | 0.922078 |
43 | IMO | 0.443182 | 0.890411 |
44 | AAM | 0.443182 | 0.90411 |
45 | 7RA | 0.443182 | 0.891892 |
46 | FAI | 0.443182 | 0.90411 |
47 | RMB | 0.443182 | 0.835616 |
48 | P2P | 0.443182 | 0.864865 |
49 | JLN | 0.443182 | 0.90411 |
50 | G2R | 0.441176 | 0.922078 |
51 | G7M | 0.43956 | 0.934211 |
52 | 6MZ | 0.438202 | 0.891892 |
53 | XMP | 0.438202 | 0.932432 |
54 | IRN | 0.435897 | 0.830986 |
55 | Y9Z | 0.433962 | 0.865854 |
56 | PMO | 0.433333 | 0.813333 |
57 | 71V | 0.433333 | 0.825 |
58 | GDP AF3 | 0.431373 | 0.875 |
59 | GDP ALF | 0.431373 | 0.875 |
60 | JB2 | 0.431193 | 0.922078 |
61 | GKD | 0.431193 | 0.922078 |
62 | GDR | 0.429907 | 0.922078 |
63 | GFB | 0.429907 | 0.922078 |
64 | G3A | 0.425926 | 0.934211 |
65 | 6CK | 0.425926 | 0.898734 |
66 | YGP | 0.424528 | 0.8875 |
67 | G5P | 0.422018 | 0.934211 |
68 | PGS | 0.419355 | 0.825 |
69 | GTG | 0.416667 | 0.898734 |
70 | RVP | 0.416667 | 0.837838 |
71 | GDX | 0.414414 | 0.934211 |
72 | CZF | 0.412371 | 0.945205 |
73 | GUO | 0.41 | 0.931507 |
74 | GMP | 0.406977 | 0.84 |
75 | U2G | 0.405172 | 0.898734 |
76 | 2SA | 0.40404 | 0.894737 |
77 | OK8 | 0.40404 | 0.868421 |
78 | 6C6 | 0.402062 | 0.846154 |
79 | GPD | 0.401786 | 0.8875 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ALF 3PG | 0.9551 |
2 | G01 | 0.9422 |
3 | IPR | 0.9116 |
4 | HCA | 0.9115 |
5 | ALA LEU | 0.9098 |
6 | CIT | 0.9079 |
7 | G88 | 0.9073 |
8 | I7A | 0.9072 |
9 | CSN | 0.9061 |
10 | ALA ZGL | 0.9046 |
11 | NLQ | 0.9042 |
12 | NLG | 0.9041 |
13 | QIF | 0.9012 |
14 | DED | 0.9011 |
15 | ALA DGL | 0.9009 |
16 | LXP | 0.9008 |
17 | MZM | 0.9005 |
18 | U7E | 0.9000 |
19 | C26 | 0.8997 |
20 | PHY | 0.8991 |
21 | IPE | 0.8982 |
22 | DMA | 0.8963 |
23 | AQK | 0.8955 |
24 | FLC | 0.8943 |
25 | HJ7 | 0.8923 |
26 | EKN | 0.8915 |
27 | 5WN | 0.8914 |
28 | NQM | 0.8900 |
29 | AVO | 0.8898 |
30 | PDC | 0.8888 |
31 | R1P | 0.8886 |
32 | D6G | 0.8877 |
33 | BG6 | 0.8874 |
34 | IOS | 0.8868 |
35 | PPK | 0.8866 |
36 | G6P | 0.8856 |
37 | PMV | 0.8848 |
38 | LEL | 0.8848 |
39 | HCT | 0.8847 |
40 | VM1 | 0.8844 |
41 | AVJ | 0.8839 |
42 | FWB | 0.8837 |
43 | GLP | 0.8830 |
44 | 3LJ | 0.8830 |
45 | 3PO | 0.8815 |
46 | 0FA | 0.8815 |
47 | GLY LEU | 0.8814 |
48 | 49P | 0.8813 |
49 | AOZ | 0.8811 |
50 | QMS | 0.8810 |
51 | CXA | 0.8809 |
52 | LX1 | 0.8807 |
53 | DY8 | 0.8799 |
54 | NIG | 0.8799 |
55 | BGP | 0.8797 |
56 | S3P | 0.8795 |
57 | M3Q | 0.8794 |
58 | AZM | 0.8792 |
59 | TU0 | 0.8790 |
60 | DA4 | 0.8781 |
61 | 0GY | 0.8778 |
62 | ALA GLN | 0.8773 |
63 | GLY ASP | 0.8758 |
64 | NCD | 0.8756 |
65 | G1P | 0.8753 |
66 | LRW | 0.8750 |
67 | EWG | 0.8749 |
68 | TNG | 0.8742 |
69 | XEN | 0.8736 |
70 | 5F5 | 0.8729 |
71 | 5TZ | 0.8724 |
72 | 790 | 0.8723 |
73 | IL5 | 0.8721 |
74 | BZS | 0.8715 |
75 | ING | 0.8702 |
76 | 23N | 0.8699 |
77 | BOQ | 0.8691 |
78 | TX4 | 0.8690 |
79 | 7QD | 0.8682 |
80 | F6P | 0.8681 |
81 | DX5 | 0.8673 |
82 | GFP | 0.8672 |
83 | A6P | 0.8672 |
84 | MNP | 0.8666 |
85 | TRP | 0.8665 |
86 | HSA | 0.8664 |
87 | ALA GLU | 0.8663 |
88 | 6DP | 0.8662 |
89 | PTS | 0.8660 |
90 | M1P | 0.8659 |
91 | ATX | 0.8657 |
92 | 2UZ | 0.8656 |
93 | AOR | 0.8655 |
94 | TA6 | 0.8654 |
95 | F1X | 0.8651 |
96 | 2CG | 0.8649 |
97 | SSC | 0.8626 |
98 | JV4 | 0.8622 |
99 | 14W | 0.8621 |
100 | MP5 | 0.8617 |
101 | GPM | 0.8601 |
102 | CH5 | 0.8596 |
103 | M6P | 0.8594 |
104 | IOP | 0.8590 |
105 | 9BF | 0.8589 |
106 | DXP | 0.8585 |
107 | K48 | 0.8583 |
108 | AVA | 0.8576 |
109 | MRU | 0.8575 |
110 | AGP | 0.8571 |
111 | RSM | 0.8561 |
112 | 3EB | 0.8556 |
113 | AVI | 0.8555 |
114 | OW7 | 0.8553 |
115 | H6P | 0.8550 |
116 | TRC | 0.8550 |
117 | 6HP | 0.8540 |
118 | CE2 | 0.8534 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | AMP MG | 0.9955 |
2 | IRP | 0.9883 |
3 | LMS | 0.9853 |
4 | ABM | 0.9851 |
5 | SRA | 0.9850 |
6 | FMP | 0.9826 |
7 | MZP | 0.9773 |
8 | 45A | 0.9770 |
9 | EO7 | 0.9769 |
10 | IMU | 0.9747 |
11 | D5M | 0.9716 |
12 | 8OP | 0.9680 |
13 | DA | 0.9634 |
14 | 6CG | 0.9590 |
15 | 8BR | 0.9570 |
16 | A3N | 0.9546 |
17 | ZAS | 0.9545 |
18 | DGP | 0.9534 |
19 | DG | 0.9534 |
20 | AS | 0.9530 |
21 | 5BU | 0.9528 |
22 | AOC | 0.9513 |
23 | PFU | 0.9499 |
24 | 6MA | 0.9489 |
25 | 7D5 | 0.9489 |
26 | 6OG | 0.9483 |
27 | FNU | 0.9480 |
28 | U5P | 0.9477 |
29 | 3DH | 0.9445 |
30 | C | 0.9444 |
31 | M2T | 0.9442 |
32 | UFP | 0.9440 |
33 | NEC | 0.9439 |
34 | NYM | 0.9435 |
35 | UP6 | 0.9433 |
36 | N5O | 0.9431 |
37 | 5FU | 0.9430 |
38 | NMN | 0.9419 |
39 | 8GM | 0.9408 |
40 | 5HM | 0.9408 |
41 | 6RE | 0.9408 |
42 | TKW | 0.9407 |
43 | TMP | 0.9395 |
44 | QBT | 0.9395 |
45 | CNU | 0.9395 |
46 | 5CM | 0.9391 |
47 | MTM | 0.9375 |
48 | BMP | 0.9368 |
49 | BMQ | 0.9363 |
50 | J7C | 0.9360 |
51 | FDM | 0.9341 |
52 | BRU | 0.9338 |
53 | 5HU | 0.9331 |
54 | 16B | 0.9328 |
55 | MTA | 0.9327 |
56 | MTH | 0.9324 |
57 | C5P | 0.9320 |
58 | UMP | 0.9317 |
59 | NCN | 0.9309 |
60 | EP4 | 0.9304 |
61 | DSH | 0.9303 |
62 | 5IU | 0.9288 |
63 | NUP | 0.9272 |
64 | U | 0.9264 |
65 | DC | 0.9250 |
66 | DCM | 0.9250 |
67 | D4M | 0.9250 |
68 | 2DT | 0.9250 |
69 | Z8B | 0.9245 |
70 | H2U | 0.9239 |
71 | 9L3 | 0.9236 |
72 | U6M | 0.9231 |
73 | 8OG | 0.9230 |
74 | S5P | 0.9221 |
75 | ICR | 0.9214 |
76 | PSU | 0.9214 |
77 | PRX | 0.9203 |
78 | SSI | 0.9195 |
79 | O8M | 0.9187 |
80 | CH | 0.9184 |
81 | FN5 | 0.9184 |
82 | DUS | 0.9179 |
83 | NWQ | 0.9174 |
84 | DU | 0.9168 |
85 | UMC | 0.9159 |
86 | JW5 | 0.9157 |
87 | GJV | 0.9137 |
88 | 4X2 | 0.9118 |
89 | O7E | 0.9111 |
90 | 6CN | 0.9084 |
91 | U4S | 0.9082 |
92 | MCF | 0.9078 |
93 | CAR | 0.9050 |
94 | TXS | 0.9042 |
95 | CA0 | 0.9035 |
96 | CMP | 0.9032 |
97 | KG4 | 0.9027 |
98 | DOC | 0.9021 |
99 | ADP | 0.9020 |
100 | DDN | 0.9019 |
101 | U2S | 0.8998 |
102 | 3F5 | 0.8973 |
103 | K8W | 0.8963 |
104 | U3S | 0.8955 |
105 | U1S | 0.8955 |
106 | T3S | 0.8947 |
107 | A3P | 0.8943 |
108 | SP1 | 0.8938 |
109 | N8M | 0.8933 |
110 | NWZ | 0.8916 |
111 | F19 | 0.8915 |
112 | ATM | 0.8906 |
113 | ADX | 0.8901 |
114 | MTE | 0.8900 |
115 | 6AU | 0.8876 |
116 | 2GE | 0.8875 |
117 | SU1 | 0.8868 |
118 | RP1 | 0.8866 |
119 | FMC | 0.8862 |
120 | ADN | 0.8862 |
121 | 7CH | 0.8852 |
122 | 43J | 0.8851 |
123 | A12 | 0.8850 |
124 | ADP MG | 0.8848 |
125 | OMP | 0.8845 |
126 | 3Q1 | 0.8841 |
127 | AN2 | 0.8831 |
128 | SON | 0.8824 |
129 | A2P | 0.8821 |
130 | 7DD | 0.8812 |
131 | BVP | 0.8810 |
132 | NWW | 0.8806 |
133 | AP2 | 0.8789 |
134 | DBM | 0.8781 |
135 | FGN | 0.8774 |
136 | IMH | 0.8773 |
137 | TAL | 0.8768 |
138 | UA2 | 0.8768 |
139 | A4D | 0.8765 |
140 | A8M | 0.8761 |
141 | M33 | 0.8753 |
142 | PCG | 0.8751 |
143 | G5A | 0.8747 |
144 | AT4 | 0.8746 |
145 | 5NB | 0.8738 |
146 | 2OM | 0.8730 |
147 | GAP | 0.8718 |
148 | M7G | 0.8716 |
149 | AD3 | 0.8716 |
150 | DN8 | 0.8714 |
151 | AU1 | 0.8714 |
152 | IXF | 0.8712 |
153 | TBN | 0.8711 |
154 | 5N5 | 0.8709 |
155 | 1BJ | 0.8706 |
156 | FMB | 0.8706 |
157 | DOI | 0.8706 |
158 | 1DA | 0.8704 |
159 | 35G | 0.8704 |
160 | 43G | 0.8701 |
161 | HPR | 0.8689 |
162 | PRH | 0.8689 |
163 | 6SX | 0.8688 |
164 | MSS | 0.8688 |
165 | 5FD | 0.8679 |
166 | DAT | 0.8679 |
167 | INR | 0.8673 |
168 | 8OD | 0.8670 |
169 | MTP | 0.8651 |
170 | 43H | 0.8651 |
171 | GOW | 0.8629 |
172 | VAL TRP | 0.8628 |
173 | FTU | 0.8628 |
174 | 3AD | 0.8627 |
175 | HMK | 0.8621 |
176 | 4ZK | 0.8615 |
177 | RVA | 0.8603 |
178 | 460 | 0.8603 |
179 | CLM | 0.8600 |
180 | GAR | 0.8597 |
181 | GQE | 0.8596 |
182 | 3BH | 0.8590 |
183 | EKH | 0.8576 |
184 | GNG | 0.8574 |
185 | 566 | 0.8565 |
186 | A5A | 0.8562 |
187 | 5ID | 0.8561 |
188 | F13 | 0.8557 |
189 | 468 | 0.8548 |
190 | PUR | 0.8548 |
191 | 3D1 | 0.8518 |
This union binding pocket(no: 1) in the query (biounit: 2jc9.bio1) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2jc9.bio1) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2jc9.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2jc9.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |