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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 1J2Z | - | SOG | C14 H28 O5 S | CCCCCCCCS[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 3I3X | - | U22 | C29 H50 N4 O18 P2 | CCCCCCCCC[.... |
2 | 3I3A | - | S2N | C24 H47 N2 O9 P S | CCCCCCCCC[.... |
3 | 2QIV | - | U21 | C27 H45 N3 O19 P2 | CCCCCCC[C@.... |
4 | 6P9R | ic50 = 3 uM | O5M | C21 H21 F N4 O2 | Cc1ccnc(c1.... |
5 | 6P9S | ic50 = 11 uM | O5G | C22 H24 N4 O3 | Cc1ccnc(c1.... |
6 | 6P9P | Kd = 0.1 uM | O5J | C24 H20 N2 O4 | COc1ccc(cc.... |
7 | 4J09 | - | THR ASN LEU TYR MET LEU | n/a | n/a |
8 | 6P9T | ic50 = 0.6 uM | O5D | C22 H24 Cl N5 O3 | Cc1cc(ncc1.... |
9 | 2QIA | - | U20 | C31 H53 N3 O19 P2 | CCCCCCCCCC.... |
10 | 6P9Q | Kd = 110 uM | O5P | C21 H22 N4 O2 | Cc1ccnc(c1.... |
11 | 4R37 | - | UD1 | C17 H27 N3 O17 P2 | CC(=O)N[C@.... |
12 | 1J2Z | - | SOG | C14 H28 O5 S | CCCCCCCCS[.... |
13 | 6UEE | - | Q5M | C14 H12 O3 | c1ccc2c(c1.... |
14 | 6UEG | Kd = 19.5 uM | Q5G | C14 H16 N2 O5 S | c1ccc2c(c1.... |
15 | 5DG3 | - | U21 | C27 H45 N3 O19 P2 | CCCCCCC[C@.... |
16 | 5DEP | - | UD1 | C17 H27 N3 O17 P2 | CC(=O)N[C@.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | SOG | 1 | 1 |
2 | HTG | 0.977273 | 1 |
3 | 10M | 0.634921 | 0.911111 |
4 | PTQ | 0.47541 | 0.744186 |
5 | MSX MAN | 0.457627 | 0.75 |
6 | HSJ | 0.45 | 0.883721 |
7 | BNG | 0.45 | 0.883721 |
8 | BOG | 0.45 | 0.883721 |
9 | B7G | 0.433333 | 0.883721 |
10 | KGM | 0.433333 | 0.883721 |
11 | AFO | 0.423729 | 0.8 |
12 | CQX | 0.41791 | 0.863636 |
13 | BHG | 0.416667 | 0.860465 |
14 | JZR | 0.416667 | 0.860465 |
15 | HEX GLC | 0.416667 | 0.860465 |
16 | IPT | 0.415094 | 0.72093 |
17 | YIO GAL | 0.411765 | 0.744186 |
18 | U1Y BGC | 0.40625 | 0.717391 |
This union binding pocket(no: 1) in the query (biounit: 1j2z.bio2) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1j2z.bio2) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1j2z.bio2) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 1j2z.bio2) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 1j2z.bio2) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 1j2z.bio2) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 1j2z.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 8) in the query (biounit: 1j2z.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 9) in the query (biounit: 1j2z.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |