Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02366066
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 |
BP4 | BIPHENYL-4-YL-ACETALDEHYDE | A,B,E,F,G,H | 1MHW | 0.71 | |
B08 | A,B | 2E99 | 0.72 | ||
DEN | INDENE | A | 183L | 0.75 | |
I4B | ISOBUTYLBENZENE | A | 184L | 0.78 | |
PBA | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.76 | |
PXY | PARA-XYLENE | A | 187L | 0.75 | |
PXY | PARA-XYLENE | A | 225L | 0.75 | |
MBN | TOLUENE | A,B | 3D7O | 0.75 | |
MBN | TOLUENE | A,B | 1R1X | 0.75 | |
MBN | TOLUENE | A,B | 1JLX | 0.75 | |
MBN | TOLUENE | A,B,C,D | 3D17 | 0.75 | |
MBN | TOLUENE | A,B | 2VRL | 0.75 | |
MBN | TOLUENE | A,I | 2Z3E | 0.75 | |
MBN | TOLUENE | A,B | 1YZI | 0.75 | |
MBN | TOLUENE | A,B | 2DN1 | 0.75 | |
MBN | TOLUENE | A,B | 3EN1 | 0.75 | |
OXE | ORTHO-XYLENE | A,B | 3E0X | 0.78 | |
OXE | ORTHO-XYLENE | A | 188L | 0.78 | |
1PB | 1,4-DIPHENYL-2-BUTENE | A,B | 1OJ9 | 0.87 | |
AN3 | ANTHRACENE | A,B | 2HMN | 0.88 | |
AN3 | ANTHRACENE | A,B | 2HMM | 0.88 | |
FPR | PROPYLBENZENE | C | 1RHK | 0.78 | |
PEY | PHENANTHRENE | A,B | 2HML | 0.88 | |
PEY | PHENANTHRENE | A,B | 2HMK | 0.88 | |
P4P | TETRAPHENYLPHOSPHONIUM | A,M | 1EXJ | 0.8 | |
P4P | TETRAPHENYLPHOSPHONIUM | A,C | 3B62 | 0.8 | |
P4P | TETRAPHENYLPHOSPHONIUM | A,B | 1R8E | 0.8 | |
P4P | TETRAPHENYLPHOSPHONIUM | A | 2BOW | 0.8 | |
P4P | TETRAPHENYLPHOSPHONIUM | A | 3B5D | 0.8 | |
2IB | 2-IODOBENZYL GROUP | I,J,K,L,M,N, O,P | 1GUL | 0.7 | |
118 | TETRAPHENYLANTIMONIUM ION | A | 1EXI | 0.84 | |
BNA | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | I | 4ER1 | 0.71 | |
BNA | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | A | 1FQ5 | 0.71 | |
NPY | NAPHTHALENE | A,B | 1O7G | 0.82 | |
BDB | A,B | 1KE3 | 0.82 | ||
TTA | TETRAPHENYL-ARSONIUM | A | 1HYV | 0.84 | |
TBC | (9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE | A | 1N8C | 0.73 | |
B2Y | 1-biphenyl-2-ylmethanamine | A,B,C,D | 3CCB | 0.71 | |
B28 | A,B | 2E9A | 0.71 | ||
PYL | PHENYLETHANE | C | 1B07 | 0.78 | |
PYL | PHENYLETHANE | A,B | 2VRM | 0.78 | |
PYL | PHENYLETHANE | A | 1NHB | 0.78 | |
FEP | [(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)- PHENYL]-BUTYL}-PHENYL)-DIFLUORO- METHYL]-PHOSPHONIC ACID | A | 1KAV | 0.7 | |
2HT | 3-methylbenzonitrile | A,B | 3F88 | 0.71 | |
N4B | N-BUTYLBENZENE | A | 186L | 0.78 | |
GW5 | (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID | A,B,C | 1R5K | 0.72 |