Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02806319
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 |
PYL | PHENYLETHANE | C | 1B07 | 0.8 | |
PYL | PHENYLETHANE | A,B | 2VRM | 0.8 | |
PYL | PHENYLETHANE | A | 1NHB | 0.8 | |
BDB | A,B | 1KE3 | 0.74 | ||
PTF | [(METHYLSULFANYL)METHYL]BENZENE | C,F | 1RHQ | 0.73 | |
PBA | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.81 | |
HY1 | PHENYLACETALDEHYDE | D,H | 2I0S | 0.74 | |
HY1 | PHENYLACETALDEHYDE | A,B | 1D6Y | 0.74 | |
HY1 | PHENYLACETALDEHYDE | A,B | 1D6Z | 0.74 | |
HY1 | PHENYLACETALDEHYDE | D,H | 2OK4 | 0.74 | |
HY1 | PHENYLACETALDEHYDE | A,B | 1D6U | 0.74 | |
I4B | ISOBUTYLBENZENE | A | 184L | 0.78 | |
2IB | 2-IODOBENZYL GROUP | I,J,K,L,M,N, O,P | 1GUL | 0.75 | |
N4B | N-BUTYLBENZENE | A | 186L | 0.8 | |
PPP | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.73 | |
1PB | 1,4-DIPHENYL-2-BUTENE | A,B | 1OJ9 | 0.76 | |
OXE | ORTHO-XYLENE | A,B | 3E0X | 0.78 | |
OXE | ORTHO-XYLENE | A | 188L | 0.78 | |
DEN | INDENE | A | 183L | 0.72 | |
2HT | 3-methylbenzonitrile | A,B | 3F88 | 0.7 | |
2HS | HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS2 | 0.84 | |
PPH | [(1R)-1-amino-2-phenylethyl]phosphonic acid | A | 1OS0 | 0.71 | |
PPH | [(1R)-1-amino-2-phenylethyl]phosphonic acid | E,I | 4TMN | 0.71 | |
PPH | [(1R)-1-amino-2-phenylethyl]phosphonic acid | S | 1CGH | 0.71 | |
2HR | HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS1 | 0.84 | |
FPR | PROPYLBENZENE | C | 1RHK | 0.8 | |
GG3 | {1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE- 1,1-DIYL}BIS(PHOSPHONIC ACID) | A,B | 2P1C | 0.72 | |
GG3 | {1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE- 1,1-DIYL}BIS(PHOSPHONIC ACID) | A,B | 2Z7H | 0.72 | |
1LP | TRANYLCYPROMINE | A,B | 1OJB | 0.72 | |
CVB | 4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID | A,B | 1KE0 | 0.71 | |
OBZ | O-benzylhydroxylamine | A,B | 3DTH | 0.72 | |
OBZ | O-benzylhydroxylamine | A,B | 3DTG | 0.72 | |
4FA | 4-FLUOROPHENETHYL ALCOHOL | A | 1OWZ | 0.72 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.75 | |
PEL | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.75 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.75 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.75 | |
PEL | 2-PHENYL-ETHANOL | A | 1EYW | 0.75 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.75 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1DPM | 0.94 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1P6B | 0.94 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1PSC | 0.94 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 3E3H | 0.94 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1QW7 | 0.94 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1P6C | 0.94 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE6 | 0.72 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE8 | 0.72 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A,B,C,D,E,F, G,H | 2O78 | 0.72 | |
PXY | PARA-XYLENE | A | 187L | 0.8 | |
PXY | PARA-XYLENE | A | 225L | 0.8 | |
3PL | 3-PHENYLPROPANAL | E | 1Y3G | 0.75 | |
FEP | [(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)- PHENYL]-BUTYL}-PHENYL)-DIFLUORO- METHYL]-PHOSPHONIC ACID | A | 1KAV | 0.72 | |
MBN | TOLUENE | A,B | 3D7O | 0.8 | |
MBN | TOLUENE | A,B | 1R1X | 0.8 | |
MBN | TOLUENE | A,B | 1JLX | 0.8 | |
MBN | TOLUENE | A,B,C,D | 3D17 | 0.8 | |
MBN | TOLUENE | A,B | 2VRL | 0.8 | |
MBN | TOLUENE | A,I | 2Z3E | 0.8 | |
MBN | TOLUENE | A,B | 1YZI | 0.8 | |
MBN | TOLUENE | A,B | 2DN1 | 0.8 | |
MBN | TOLUENE | A,B | 3EN1 | 0.8 | |
787 | (PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACID | A | 1O4R | 0.8 |