Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00010947
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 |
DE1![]() | DECAN-1-OL | A | 1ZNL | 0.75 | ![]() |
PL3![]() | HEXADECAN-1-OL | A,B,C,D | 2UUU | 0.7 | ![]() |
PL3![]() | HEXADECAN-1-OL | A,B,C,D | 2UUV | 0.7 | ![]() |
OC9![]() | OCTAN-1-OL | A | 1ZNH | 0.75 | ![]() |
OC9![]() | OCTAN-1-OL | A | 2QHV | 0.75 | ![]() |
IP3![]() | 1-HYDROXY-3-METHYLBUTANE | A,B | 1HRN | 0.79 | ![]() |
IP3![]() | 1-HYDROXY-3-METHYLBUTANE | A,B | 1BIL | 0.79 | ![]() |
BHL![]() | 6-BROMOHEXAN-1-OL | A,B,C | 1XVB | 0.71 | ![]() |
1DO![]() | 1-DODECANOL | A,Z | 2CFZ | 0.75 | ![]() |
HE2![]() | HEXAN-1-OL | A | 1ZNE | 0.91 | ![]() |
PE9![]() | PENTAN-1-OL | A | 1ZND | 1 | ![]() |
HEZ![]() | HEXANE-1,6-DIOL | A,B | 1X1V | 0.83 | ![]() |
HEZ![]() | HEXANE-1,6-DIOL | A,B,C,D,E,F | 1M8T | 0.83 | ![]() |
HEZ![]() | HEXANE-1,6-DIOL | A | 1J7K | 0.83 | ![]() |
HEZ![]() | HEXANE-1,6-DIOL | A | 2IOR | 0.83 | ![]() |
HEZ![]() | HEXANE-1,6-DIOL | A,D | 2NY2 | 0.83 | ![]() |
HEZ![]() | HEXANE-1,6-DIOL | A | 2NY0 | 0.83 | ![]() |
HEZ![]() | HEXANE-1,6-DIOL | A,B,C,D | 3CDO | 0.83 | ![]() |
HEZ![]() | HEXANE-1,6-DIOL | A,B,C,D | 2NXZ | 0.83 | ![]() |
HEZ![]() | HEXANE-1,6-DIOL | A,D | 2NY4 | 0.83 | ![]() |
HEZ![]() | HEXANE-1,6-DIOL | A | 1P2V | 0.83 | ![]() |
HEZ![]() | HEXANE-1,6-DIOL | A | 1NHZ | 0.83 | ![]() |
HEZ![]() | HEXANE-1,6-DIOL | A,C,D,E,F,G | 2HY6 | 0.83 | ![]() |
HEZ![]() | HEXANE-1,6-DIOL | A | 2NXY | 0.83 | ![]() |
HEZ![]() | HEXANE-1,6-DIOL | A,B | 2VYP | 0.83 | ![]() |
HEZ![]() | HEXANE-1,6-DIOL | A,B | 1JMT | 0.83 | ![]() |
HEZ![]() | HEXANE-1,6-DIOL | A | 1U3C | 0.83 | ![]() |
HEZ![]() | HEXANE-1,6-DIOL | A,B,C,D | 3G36 | 0.83 | ![]() |
HEZ![]() | HEXANE-1,6-DIOL | A,B,C,D | 3EDC | 0.83 | ![]() |
HEZ![]() | HEXANE-1,6-DIOL | A | 1QUH | 0.83 | ![]() |
HEZ![]() | HEXANE-1,6-DIOL | A | 1IN4 | 0.83 | ![]() |
HEZ![]() | HEXANE-1,6-DIOL | A,B,C,D | 1WXW | 0.83 | ![]() |
HEZ![]() | HEXANE-1,6-DIOL | A,B | 3EV1 | 0.83 | ![]() |
HEZ![]() | HEXANE-1,6-DIOL | A,B,D | 2WIW | 0.83 | ![]() |
HEZ![]() | HEXANE-1,6-DIOL | A,B,C,D | 1IBY | 0.83 | ![]() |
HEZ![]() | HEXANE-1,6-DIOL | A | 1QUD | 0.83 | ![]() |
BU2![]() | 1,3-BUTANEDIOL | A,B | 1LOL | 0.76 | ![]() |
BU2![]() | 1,3-BUTANEDIOL | A,B | 2RFM | 0.76 | ![]() |
1BO![]() | 1-BUTANOL | X | 1YKY | 0.9 | ![]() |
1BO![]() | 1-BUTANOL | A,B | 2HUU | 0.9 | ![]() |
1BO![]() | 1-BUTANOL | A | 2VDG | 0.9 | ![]() |
1BO![]() | 1-BUTANOL | A,B | 1OOH | 0.9 | ![]() |
1BO![]() | 1-BUTANOL | C,D | 1OKX | 0.9 | ![]() |
1BO![]() | 1-BUTANOL | A,B | 3ET2 | 0.9 | ![]() |
1BO![]() | 1-BUTANOL | A,B | 3B6X | 0.9 | ![]() |
1BO![]() | 1-BUTANOL | A | 1G4H | 0.9 | ![]() |
1BO![]() | 1-BUTANOL | A,B | 2HUF | 0.9 | ![]() |
CXL![]() | CYCLOHEXANOL | A,B | 1HDX | 0.74 | ![]() |
BU1![]() | 1,4-BUTANEDIOL | A | 2BAB | 0.78 | ![]() |
BU1![]() | 1,4-BUTANEDIOL | A,B | 2HW8 | 0.78 | ![]() |
BU1![]() | 1,4-BUTANEDIOL | A | 2B9Y | 0.78 | ![]() |
BU1![]() | 1,4-BUTANEDIOL | A | 1M8R | 0.78 | ![]() |
BU1![]() | 1,4-BUTANEDIOL | A,B,C | 3FNK | 0.78 | ![]() |
BU1![]() | 1,4-BUTANEDIOL | A,B | 1TZP | 0.78 | ![]() |
BU1![]() | 1,4-BUTANEDIOL | A | 1M8S | 0.78 | ![]() |
BU1![]() | 1,4-BUTANEDIOL | A | 1VIO | 0.78 | ![]() |
BU1![]() | 1,4-BUTANEDIOL | A | 2W62 | 0.78 | ![]() |
BU1![]() | 1,4-BUTANEDIOL | A | 2RH1 | 0.78 | ![]() |
BU1![]() | 1,4-BUTANEDIOL | A,B,C | 3CED | 0.78 | ![]() |
BU1![]() | 1,4-BUTANEDIOL | A | 1BK9 | 0.78 | ![]() |
BU1![]() | 1,4-BUTANEDIOL | A | 1X9D | 0.78 | ![]() |
F09![]() | NONAN-1-OL | A,C | 2DWD | 0.75 | ![]() |
F09![]() | NONAN-1-OL | B,C | 1R3L | 0.75 | ![]() |
F09![]() | NONAN-1-OL | C,H | 1R3I | 0.75 | ![]() |
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 | 0.75 | ![]() |
F09![]() | NONAN-1-OL | C | 2DWE | 0.75 | ![]() |
F09![]() | NONAN-1-OL | A,C | 2HVJ | 0.75 | ![]() |
F09![]() | NONAN-1-OL | B,C | 1R3J | 0.75 | ![]() |
F09![]() | NONAN-1-OL | C | 1K4D | 0.75 | ![]() |
F09![]() | NONAN-1-OL | A,C | 1K4C | 0.75 | ![]() |
F09![]() | NONAN-1-OL | C | 2ATK | 0.75 | ![]() |
F09![]() | NONAN-1-OL | A,C | 1ZWI | 0.75 | ![]() |
F09![]() | NONAN-1-OL | A | 1ZNK | 0.75 | ![]() |
F09![]() | NONAN-1-OL | B,C | 1S5H | 0.75 | ![]() |
F09![]() | NONAN-1-OL | A,C | 2HVK | 0.75 | ![]() |
F09![]() | NONAN-1-OL | A,C | 2P7T | 0.75 | ![]() |
SBT![]() | 2-BUTANOL | A,B,C,D | 1BXZ | 0.78 | ![]() |
SBT![]() | 2-BUTANOL | A | 2PLH | 0.78 | ![]() |
POL![]() | N-PROPANOL | A,B | 1AL4 | 0.81 | ![]() |
POL![]() | N-PROPANOL | A | 2Q1P | 0.81 | ![]() |
POL![]() | N-PROPANOL | A,B,C,D,E | 3DWQ | 0.81 | ![]() |
POL![]() | N-PROPANOL | A | 1JSE | 0.81 | ![]() |
POL![]() | N-PROPANOL | A,B | 1OOG | 0.81 | ![]() |
POL![]() | N-PROPANOL | A,B | 3CL1 | 0.81 | ![]() |
HE4![]() | HEPTAN-1-OL | A | 1ZNG | 0.81 | ![]() |