Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03003257
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 |
RS7 | (2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID | A,B | 2P0M | 0.72 | |
RS7 | (2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID | A | 1LOX | 0.72 | |
LEG | 1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE | A,B | 2PIN | 0.71 | |
CVB | 4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID | A,B | 1KE0 | 0.77 | |
GG3 | {1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE- 1,1-DIYL}BIS(PHOSPHONIC ACID) | A,B | 2P1C | 0.71 | |
GG3 | {1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE- 1,1-DIYL}BIS(PHOSPHONIC ACID) | A,B | 2Z7H | 0.71 | |
CP5 | (2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}- 2-PHENYLACRYLATE | A | 1SCW | 0.75 | |
PXY | PARA-XYLENE | A | 187L | 0.72 | |
PXY | PARA-XYLENE | A | 225L | 0.72 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1DPM | 0.89 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1P6B | 0.89 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1PSC | 0.89 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 3E3H | 0.89 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1QW7 | 0.89 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1P6C | 0.89 | |
FEP | [(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)- PHENYL]-BUTYL}-PHENYL)-DIFLUORO- METHYL]-PHOSPHONIC ACID | A | 1KAV | 0.71 | |
FPR | PROPYLBENZENE | C | 1RHK | 0.72 | |
HBX | benzaldehyde | A,B | 3GDN | 0.71 | |
AC0 | 1-PHENYLETHANONE | A | 1ZK1 | 0.71 | |
AC0 | 1-PHENYLETHANONE | A | 1ZK4 | 0.71 | |
PBA | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.72 | |
787 | (PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACID | A | 1O4R | 0.79 | |
24I | (2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACID | A | 2C6C | 0.71 | |
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 | |
2HS | HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS2 | 0.81 | |
2HR | HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS1 | 0.81 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE6 | 0.75 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE8 | 0.75 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A,B,C,D,E,F, G,H | 2O78 | 0.75 | |
3PL | 3-PHENYLPROPANAL | E | 1Y3G | 0.72 | |
N4B | N-BUTYLBENZENE | A | 186L | 0.72 | |
HY1 | PHENYLACETALDEHYDE | D,H | 2I0S | 0.71 | |
HY1 | PHENYLACETALDEHYDE | A,B | 1D6Y | 0.71 | |
HY1 | PHENYLACETALDEHYDE | A,B | 1D6Z | 0.71 | |
HY1 | PHENYLACETALDEHYDE | D,H | 2OK4 | 0.71 | |
HY1 | PHENYLACETALDEHYDE | A,B | 1D6U | 0.71 | |
PYL | PHENYLETHANE | C | 1B07 | 0.72 | |
PYL | PHENYLETHANE | A,B | 2VRM | 0.72 | |
PYL | PHENYLETHANE | A | 1NHB | 0.72 |