Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00011326
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
BU2 | 1,3-BUTANEDIOL | A,B | 1LOL | 0.7 | |
BU2 | 1,3-BUTANEDIOL | A,B | 2RFM | 0.7 | |
BHL | 6-BROMOHEXAN-1-OL | A,B,C | 1XVB | 0.79 | |
PL3 | HEXADECAN-1-OL | A,B,C,D | 2UUU | 0.77 | |
PL3 | HEXADECAN-1-OL | A,B,C,D | 2UUV | 0.77 | |
POL | N-PROPANOL | A,B | 1AL4 | 0.74 | |
POL | N-PROPANOL | A | 2Q1P | 0.74 | |
POL | N-PROPANOL | A,B,C,D,E | 3DWQ | 0.74 | |
POL | N-PROPANOL | A | 1JSE | 0.74 | |
POL | N-PROPANOL | A,B | 1OOG | 0.74 | |
POL | N-PROPANOL | A,B | 3CL1 | 0.74 | |
MHN | 6-METHYLHEPTAN-1-OL | A,B | 1OYF | 0.72 | |
HE2 | HEXAN-1-OL | A | 1ZNE | 1 | |
ODI | OCTANE-1,8-DIOL | A | 2DM5 | 0.76 | |
CXL | CYCLOHEXANOL | A,B | 1HDX | 0.81 | |
F09 | NONAN-1-OL | A,C | 2DWD | 0.82 | |
F09 | NONAN-1-OL | B,C | 1R3L | 0.82 | |
F09 | NONAN-1-OL | C,H | 1R3I | 0.82 | |
F09 | NONAN-1-OL | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T,U,V | 1YCE | 0.82 | |
F09 | NONAN-1-OL | C | 2DWE | 0.82 | |
F09 | NONAN-1-OL | A,C | 2HVJ | 0.82 | |
F09 | NONAN-1-OL | B,C | 1R3J | 0.82 | |
F09 | NONAN-1-OL | C | 1K4D | 0.82 | |
F09 | NONAN-1-OL | A,C | 1K4C | 0.82 | |
F09 | NONAN-1-OL | C | 2ATK | 0.82 | |
F09 | NONAN-1-OL | A,C | 1ZWI | 0.82 | |
F09 | NONAN-1-OL | A | 1ZNK | 0.82 | |
F09 | NONAN-1-OL | B,C | 1S5H | 0.82 | |
F09 | NONAN-1-OL | A,C | 2HVK | 0.82 | |
F09 | NONAN-1-OL | A,C | 2P7T | 0.82 | |
PE9 | PENTAN-1-OL | A | 1ZND | 0.91 | |
OC9 | OCTAN-1-OL | A | 1ZNH | 0.82 | |
OC9 | OCTAN-1-OL | A | 2QHV | 0.82 | |
BU1 | 1,4-BUTANEDIOL | A | 2BAB | 0.72 | |
BU1 | 1,4-BUTANEDIOL | A,B | 2HW8 | 0.72 | |
BU1 | 1,4-BUTANEDIOL | A | 2B9Y | 0.72 | |
BU1 | 1,4-BUTANEDIOL | A | 1M8R | 0.72 | |
BU1 | 1,4-BUTANEDIOL | A,B,C | 3FNK | 0.72 | |
BU1 | 1,4-BUTANEDIOL | A,B | 1TZP | 0.72 | |
BU1 | 1,4-BUTANEDIOL | A | 1M8S | 0.72 | |
BU1 | 1,4-BUTANEDIOL | A | 1VIO | 0.72 | |
BU1 | 1,4-BUTANEDIOL | A | 2W62 | 0.72 | |
BU1 | 1,4-BUTANEDIOL | A | 2RH1 | 0.72 | |
BU1 | 1,4-BUTANEDIOL | A,B,C | 3CED | 0.72 | |
BU1 | 1,4-BUTANEDIOL | A | 1BK9 | 0.72 | |
BU1 | 1,4-BUTANEDIOL | A | 1X9D | 0.72 | |
DE1 | DECAN-1-OL | A | 1ZNL | 0.82 | |
1BO | 1-BUTANOL | X | 1YKY | 0.83 | |
1BO | 1-BUTANOL | A,B | 2HUU | 0.83 | |
1BO | 1-BUTANOL | A | 2VDG | 0.83 | |
1BO | 1-BUTANOL | A,B | 1OOH | 0.83 | |
1BO | 1-BUTANOL | C,D | 1OKX | 0.83 | |
1BO | 1-BUTANOL | A,B | 3ET2 | 0.83 | |
1BO | 1-BUTANOL | A,B | 3B6X | 0.83 | |
1BO | 1-BUTANOL | A | 1G4H | 0.83 | |
1BO | 1-BUTANOL | A,B | 2HUF | 0.83 | |
HND | (4S)-nonane-1,4-diol | A | 2KAR | 0.72 | |
HND | (4S)-nonane-1,4-diol | A | 2KAS | 0.72 | |
IP3 | 1-HYDROXY-3-METHYLBUTANE | A,B | 1HRN | 0.73 | |
IP3 | 1-HYDROXY-3-METHYLBUTANE | A,B | 1BIL | 0.73 | |
HTO | HEPTANE-1,2,3-TRIOL | H,L,M | 2HH1 | 0.72 | |
HTO | HEPTANE-1,2,3-TRIOL | H,L,M | 2UWT | 0.72 | |
HTO | HEPTANE-1,2,3-TRIOL | H,L,M | 2UXK | 0.72 | |
HTO | HEPTANE-1,2,3-TRIOL | H,L,M | 1RZH | 0.72 | |
HTO | HEPTANE-1,2,3-TRIOL | H,L,M | 2HG3 | 0.72 | |
HTO | HEPTANE-1,2,3-TRIOL | H,L,M | 2UX3 | 0.72 | |
HTO | HEPTANE-1,2,3-TRIOL | A | 2PIL | 0.72 | |
HTO | HEPTANE-1,2,3-TRIOL | A,B | 1U19 | 0.72 | |
HTO | HEPTANE-1,2,3-TRIOL | H,L,M | 2J8D | 0.72 | |
HTO | HEPTANE-1,2,3-TRIOL | A,B,C,D | 3DTU | 0.72 | |
HTO | HEPTANE-1,2,3-TRIOL | H,L,M | 2UX4 | 0.72 | |
HTO | HEPTANE-1,2,3-TRIOL | A,B | 1HZX | 0.72 | |
HTO | HEPTANE-1,2,3-TRIOL | A,B | 2G87 | 0.72 | |
HTO | HEPTANE-1,2,3-TRIOL | A,B | 2PED | 0.72 | |
HTO | HEPTANE-1,2,3-TRIOL | C,H,L,M | 3D38 | 0.72 | |
HTO | HEPTANE-1,2,3-TRIOL | H,L,M | 2UWV | 0.72 | |
HTO | HEPTANE-1,2,3-TRIOL | H,L,M | 1RG5 | 0.72 | |
HTO | HEPTANE-1,2,3-TRIOL | A | 1KMO | 0.72 | |
HTO | HEPTANE-1,2,3-TRIOL | C,H,L,M | 1L9B | 0.72 | |
HTO | HEPTANE-1,2,3-TRIOL | H,L,M | 2UWU | 0.72 | |
HTO | HEPTANE-1,2,3-TRIOL | A | 1AY2 | 0.72 | |
HTO | HEPTANE-1,2,3-TRIOL | A,B | 1RP0 | 0.72 | |
HTO | HEPTANE-1,2,3-TRIOL | C,H,L,M | 2I5N | 0.72 | |
HTO | HEPTANE-1,2,3-TRIOL | H,L,M | 2J8C | 0.72 | |
HTO | HEPTANE-1,2,3-TRIOL | H,L,M | 2HJ6 | 0.72 | |
HTO | HEPTANE-1,2,3-TRIOL | H,L,M | 2UXJ | 0.72 | |
HTO | HEPTANE-1,2,3-TRIOL | L,M | 1YF6 | 0.72 | |
HTO | HEPTANE-1,2,3-TRIOL | B | 2BF3 | 0.72 | |
HTO | HEPTANE-1,2,3-TRIOL | A,B | 2HPY | 0.72 | |
HTO | HEPTANE-1,2,3-TRIOL | H,L,M | 2UX5 | 0.72 | |
HTO | HEPTANE-1,2,3-TRIOL | L,M,X | 2UXM | 0.72 | |
HTO | HEPTANE-1,2,3-TRIOL | H,L,M | 2UXL | 0.72 | |
HTO | HEPTANE-1,2,3-TRIOL | A,B | 1L9H | 0.72 | |
HTO | HEPTANE-1,2,3-TRIOL | A | 2HI2 | 0.72 | |
HTO | HEPTANE-1,2,3-TRIOL | A,B,D,E,G,H, J,K | 1LGH | 0.72 | |
HTO | HEPTANE-1,2,3-TRIOL | H,L,M | 2UWW | 0.72 | |
SBT | 2-BUTANOL | A,B,C,D | 1BXZ | 0.72 | |
SBT | 2-BUTANOL | A | 2PLH | 0.72 | |
HEZ | HEXANE-1,6-DIOL | A,B | 1X1V | 0.92 | |
HEZ | HEXANE-1,6-DIOL | A,B,C,D,E,F | 1M8T | 0.92 | |
HEZ | HEXANE-1,6-DIOL | A | 1J7K | 0.92 | |
HEZ | HEXANE-1,6-DIOL | A | 2IOR | 0.92 | |
HEZ | HEXANE-1,6-DIOL | A,D | 2NY2 | 0.92 | |
HEZ | HEXANE-1,6-DIOL | A | 2NY0 | 0.92 | |
HEZ | HEXANE-1,6-DIOL | A,B,C,D | 3CDO | 0.92 | |
HEZ | HEXANE-1,6-DIOL | A,B,C,D | 2NXZ | 0.92 | |
HEZ | HEXANE-1,6-DIOL | A,D | 2NY4 | 0.92 | |
HEZ | HEXANE-1,6-DIOL | A | 1P2V | 0.92 | |
HEZ | HEXANE-1,6-DIOL | A | 1NHZ | 0.92 | |
HEZ | HEXANE-1,6-DIOL | A,C,D,E,F,G | 2HY6 | 0.92 | |
HEZ | HEXANE-1,6-DIOL | A | 2NXY | 0.92 | |
HEZ | HEXANE-1,6-DIOL | A,B | 2VYP | 0.92 | |
HEZ | HEXANE-1,6-DIOL | A,B | 1JMT | 0.92 | |
HEZ | HEXANE-1,6-DIOL | A | 1U3C | 0.92 | |
HEZ | HEXANE-1,6-DIOL | A,B,C,D | 3G36 | 0.92 | |
HEZ | HEXANE-1,6-DIOL | A,B,C,D | 3EDC | 0.92 | |
HEZ | HEXANE-1,6-DIOL | A | 1QUH | 0.92 | |
HEZ | HEXANE-1,6-DIOL | A | 1IN4 | 0.92 | |
HEZ | HEXANE-1,6-DIOL | A,B,C,D | 1WXW | 0.92 | |
HEZ | HEXANE-1,6-DIOL | A,B | 3EV1 | 0.92 | |
HEZ | HEXANE-1,6-DIOL | A,B,D | 2WIW | 0.92 | |
HEZ | HEXANE-1,6-DIOL | A,B,C,D | 1IBY | 0.92 | |
HEZ | HEXANE-1,6-DIOL | A | 1QUD | 0.92 | |
1DO | 1-DODECANOL | A,Z | 2CFZ | 0.82 | |
HE4 | HEPTAN-1-OL | A | 1ZNG | 0.88 |