Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00458815
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 |
2HR | HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS1 | 0.7 | |
2HS | HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS2 | 0.7 | |
PEY | PHENANTHRENE | A,B | 2HML | 0.83 | |
PEY | PHENANTHRENE | A,B | 2HMK | 0.83 | |
787 | (PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACID | A | 1O4R | 0.7 | |
B70 | tripotassium (1R)-4-biphenyl-4- yl-1-phosphonatobutane-1-sulfonate | A | 2ZCS | 0.75 | |
FPR | PROPYLBENZENE | C | 1RHK | 0.74 | |
AN3 | ANTHRACENE | A,B | 2HMN | 0.83 | |
AN3 | ANTHRACENE | A,B | 2HMM | 0.83 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1DPM | 0.73 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1P6B | 0.73 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1PSC | 0.73 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 3E3H | 0.73 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1QW7 | 0.73 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1P6C | 0.73 | |
B69 | A | 2ZCR | 0.76 | ||
I4B | ISOBUTYLBENZENE | A | 184L | 0.74 | |
B08 | A,B | 2E99 | 0.75 | ||
BDB | A,B | 1KE3 | 0.78 | ||
1PB | 1,4-DIPHENYL-2-BUTENE | A,B | 1OJ9 | 0.79 | |
OXE | ORTHO-XYLENE | A,B | 3E0X | 0.77 | |
OXE | ORTHO-XYLENE | A | 188L | 0.77 | |
PXY | PARA-XYLENE | A | 187L | 0.74 | |
PXY | PARA-XYLENE | A | 225L | 0.74 | |
NPY | NAPHTHALENE | A,B | 1O7G | 0.78 | |
PBA | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.72 | |
MBN | TOLUENE | A,B | 3D7O | 0.71 | |
MBN | TOLUENE | A,B | 1R1X | 0.71 | |
MBN | TOLUENE | A,B | 1JLX | 0.71 | |
MBN | TOLUENE | A,B,C,D | 3D17 | 0.71 | |
MBN | TOLUENE | A,B | 2VRL | 0.71 | |
MBN | TOLUENE | A,I | 2Z3E | 0.71 | |
MBN | TOLUENE | A,B | 1YZI | 0.71 | |
MBN | TOLUENE | A,B | 2DN1 | 0.71 | |
MBN | TOLUENE | A,B | 3EN1 | 0.71 | |
KTP | (2-NAPHTHALEN-2-YL-1-NAPHTHALEN- 1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID | A,B | 1KYN | 0.7 | |
GW5 | (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID | A,B,C | 1R5K | 0.73 | |
N4B | N-BUTYLBENZENE | A | 186L | 0.74 | |
PYL | PHENYLETHANE | C | 1B07 | 0.74 | |
PYL | PHENYLETHANE | A,B | 2VRM | 0.74 | |
PYL | PHENYLETHANE | A | 1NHB | 0.74 | |
FEP | [(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)- PHENYL]-BUTYL}-PHENYL)-DIFLUORO- METHYL]-PHOSPHONIC ACID | A | 1KAV | 0.75 | |
FNP | {[7-(DIFLUORO-PHOSPHONO-METHYL)- NAPHTHALEN-2-YL]-DIFLUORO-METHYL}- PHOSPHONIC ACID | A | 1KAK | 0.75 | |
P4P | TETRAPHENYLPHOSPHONIUM | A,M | 1EXJ | 0.74 | |
P4P | TETRAPHENYLPHOSPHONIUM | A,C | 3B62 | 0.74 | |
P4P | TETRAPHENYLPHOSPHONIUM | A,B | 1R8E | 0.74 | |
P4P | TETRAPHENYLPHOSPHONIUM | A | 2BOW | 0.74 | |
P4P | TETRAPHENYLPHOSPHONIUM | A | 3B5D | 0.74 | |
B28 | A,B | 2E9A | 0.76 | ||
DEN | INDENE | A | 183L | 0.71 |