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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 56 families. | |||||
1 | 1EVH | Kd = 602 uM | ACE PHE PRO PRO PRO PRO THR | n/a | n/a |
2 | 5NBX | - | PRO 2L5 ACY PRO 8SN | n/a | n/a |
3 | 5N9C | Kd = 14.1 uM | ACE 2L5 PRO PRO 92B | n/a | n/a |
4 | 5NCG | - | 8TB | C36 H42 Cl N5 O7 | C[C@@H]1C[.... |
5 | 5NEG | - | 8VK | C39 H48 Cl N5 O7 | CC[C@@H]1C.... |
6 | 5ND0 | - | ACE 2L5 PRO PRO 8TQ THR GLU ASP GLU NLW | n/a | n/a |
7 | 5NCF | Kd = 10 uM | 8T5 | C36 H42 Cl N5 O7 | CC(=O)N[C@.... |
8 | 5N9P | - | ACE 2L5 PRO PRO 92B NH2 | n/a | n/a |
9 | 5NDU | - | 8V2 | C36 H42 Cl N5 O7 | CC(=O)N[C@.... |
10 | 5NCP | - | EG5 | C35 H40 Cl N5 O7 | CC(=O)N[C@.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 39 families. | |||||
1 | 1EVH | Kd = 602 uM | ACE PHE PRO PRO PRO PRO THR | n/a | n/a |
2 | 5NBX | - | PRO 2L5 ACY PRO 8SN | n/a | n/a |
3 | 5N9C | Kd = 14.1 uM | ACE 2L5 PRO PRO 92B | n/a | n/a |
4 | 5NCG | - | 8TB | C36 H42 Cl N5 O7 | C[C@@H]1C[.... |
5 | 5NEG | - | 8VK | C39 H48 Cl N5 O7 | CC[C@@H]1C.... |
6 | 5ND0 | - | ACE 2L5 PRO PRO 8TQ THR GLU ASP GLU NLW | n/a | n/a |
7 | 5NCF | Kd = 10 uM | 8T5 | C36 H42 Cl N5 O7 | CC(=O)N[C@.... |
8 | 5N9P | - | ACE 2L5 PRO PRO 92B NH2 | n/a | n/a |
9 | 5NDU | - | 8V2 | C36 H42 Cl N5 O7 | CC(=O)N[C@.... |
10 | 5NCP | - | EG5 | C35 H40 Cl N5 O7 | CC(=O)N[C@.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ACE PHE PRO PRO PRO PRO THR | 1 | 1 |
2 | ZPR | 0.488636 | 0.788462 |
3 | PRO PRO PRO PRO PRO PRO LEU PRO PRO | 0.480392 | 0.796296 |
4 | ALA PRO PRO ALA | 0.475 | 0.875 |
5 | 01B PRO PRO ALA NH2 | 0.469388 | 0.789474 |
6 | THR PRO PRO SER PRO PHE | 0.466667 | 0.762712 |
7 | ACE PHE HIS PRO ALA NH2 | 0.428571 | 0.803571 |
8 | TYR MET ASP PHE ASP ASP ASP ILE PRO PHE | 0.428571 | 0.763636 |
9 | PRO PRO PRO VAL PRO PRO TYR SER ALA GLY | 0.427184 | 0.792453 |
10 | PRO PRO PRO PRO PRO PRO PRO PRO PRO | 0.425287 | 0.82 |
11 | PRO PRO PRO PRO PRO PRO PRO PRO | 0.425287 | 0.82 |
12 | MIN | 0.42 | 0.759259 |
13 | VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO | 0.419355 | 0.789474 |
14 | ACE 2L5 PRO PRO 92B | 0.418033 | 0.793103 |
15 | ACE 2L5 PRO PRO 92B NH2 | 0.418033 | 0.793103 |
16 | ACE PRO ALA PRO PHE | 0.411765 | 0.867925 |
17 | TRP MET ASP PHE ASP ASP ASP ILE PRO PHE | 0.40367 | 0.724138 |
18 | AZL | 0.40367 | 0.693548 |
19 | TRP ASP ILE PRO PHE | 0.40367 | 0.724138 |
20 | LYS THR PHE PRO PRO THR GLU PRO LYS | 0.402985 | 0.737705 |
This union binding pocket(no: 1) in the query (biounit: 5ncf.bio2) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2CM4 | RCL | None |
2 | 4NS0 | PIO | None |
3 | 4TW7 | 37K | None |
4 | 3E85 | BSU | None |
5 | 6FA4 | D1W | None |
6 | 4WVW | SLT | None |
7 | 6E1Q | CFA | None |
8 | 5JJU | AMP | None |
9 | 5OCG | 9R5 | None |
10 | 1W6P | NDG GAL | None |
11 | 5FPX | GLY SER SER HIS HIS HIS HIS HIS | None |
12 | 3EM0 | CHD | None |
13 | 1ZNY | GDP | None |
14 | 5LHT | TIH | None |
15 | 5IXG | OTP | 1.76991 |
16 | 5TBM | 79A | 1.76991 |
17 | 1QKQ | MAN | 1.76991 |
18 | 3G08 | FEE | 2.10526 |
19 | 4O9S | 2RY | 2.65487 |
20 | 5HA0 | LTD | 2.65487 |
21 | 3VHH | VHH | 2.65487 |
22 | 5UWA | 8ND | 2.65487 |
23 | 2BOS | GLA GAL | 2.94118 |
24 | 2BOS | GLA GAL GLC | 2.94118 |
25 | 2WSA | 646 | 3.53982 |
26 | 2WSA | MYA | 3.53982 |
27 | 2D6M | LBT | 3.53982 |
28 | 2IFW | ACE PHE LYS PHE PSA LEU AAR | 3.53982 |
29 | 5XQW | 8EU | 3.53982 |
30 | 2X34 | UQ8 | 3.8674 |
31 | 5T7I | LAT NAG GAL | 4.42478 |
32 | 1XE7 | GUN | 4.42478 |
33 | 3HUJ | AGH | 4.42478 |
34 | 6D61 | 4AA | 4.42478 |
35 | 4U03 | GTP | 4.42478 |
36 | 4U03 | TLL | 4.42478 |
37 | 1A78 | TDG | 4.42478 |
38 | 3RUG | DB6 | 4.42478 |
39 | 5J75 | 6GQ | 5.30973 |
40 | 1QIN | GIP | 5.30973 |
41 | 3L9R | L9R | 5.30973 |
42 | 1IS3 | LAT | 5.30973 |
43 | 2HKA | C3S | 5.30973 |
44 | 2HZQ | STR | 5.30973 |
45 | 2AG4 | OLA | 5.30973 |
46 | 1WUB | OTP | 5.30973 |
47 | 1GP6 | QUE | 5.30973 |
48 | 3VV1 | GAL FUC | 5.625 |
49 | 5LY1 | PPI | 6.19469 |
50 | 1USF | NAP | 6.19469 |
51 | 1ULE | GLA GAL NAG | 6.19469 |
52 | 1M15 | ADP | 6.19469 |
53 | 1M15 | ARG | 6.19469 |
54 | 3TAY | MN0 | 6.19469 |
55 | 5LIA | 6XN | 6.19469 |
56 | 4FFG | LBS | 6.19469 |
57 | 4WOE | ADP | 6.19469 |
58 | 1EWJ | BLM | 6.19469 |
59 | 5NEA | 8V8 | 7.07965 |
60 | 5EOB | 5QQ | 7.07965 |
61 | 1TT8 | PHB | 7.07965 |
62 | 6CED | EYA | 7.47664 |
63 | 2J5B | TYE | 7.9646 |
64 | 3ZXE | PGZ | 7.9646 |
65 | 1Y7P | RIP | 8.84956 |
66 | 4IAW | LIZ | 8.84956 |
67 | 2WBV | SIA | 8.84956 |
68 | 5U98 | 1KX | 9.73451 |
69 | 3A76 | SPD | 9.73451 |
70 | 4F7E | 0SH | 9.73451 |
71 | 4YVN | EBS | 9.73451 |
72 | 1SDW | IYT | 9.73451 |
73 | 3H5N | ATP | 9.73451 |
74 | 5H9Q | TD2 | 10.3226 |
75 | 2VGD | XYP XYP | 10.6195 |
76 | 5FYR | INS | 10.6195 |
77 | 1VA6 | P2S | 11.5044 |
78 | 1VA6 | ADP | 11.5044 |
79 | 1TYU | GLA MAN RAM TYV GLA MAN RAM TYV | 11.5044 |
80 | 3RGA | LSB | 11.5044 |
81 | 3WV6 | GAL BGC | 12.3894 |
82 | 2XMY | CDK | 12.3894 |
83 | 2YNE | NHW | 12.3894 |
84 | 2YNE | YNE | 12.3894 |
85 | 3WV6 | GAL GLC | 12.3894 |
86 | 3PG7 | PTY | 12.3894 |
87 | 3NV3 | GAL NAG MAN | 13.2743 |
88 | 5TFZ | 7BC | 13.2743 |
89 | 5EW9 | 5VC | 14.1593 |
90 | 1ZB6 | GST | 14.1593 |
91 | 1ZB6 | DIN | 14.1593 |
92 | 3GNE | FLC | 14.1593 |
93 | 3ILR | SGN | 15.0442 |
94 | 3ILR | IXD | 15.0442 |
95 | 6CDO | ALA VAL GLY ILE GLY ALA VAL PHE | 15.9292 |
96 | 4MNS | 2AX | 16.8142 |
97 | 4PSB | GA3 | 16.8142 |
98 | 3BJK | CIT | 16.8142 |
99 | 2HO2 | PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU | 18.4211 |
100 | 3PE2 | E1B | 18.5841 |
101 | 2YG2 | FLC | 20.354 |
102 | 1PIG | BGC | 23.0089 |
103 | 3M3E | GAL A2G NPO | 23.0089 |
104 | 2BW7 | APC | 25.6637 |
105 | 2BW7 | ECS | 25.6637 |
106 | 3WG3 | A2G GAL NAG FUC | 30.9735 |
This union binding pocket(no: 2) in the query (biounit: 5ncf.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |