Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03232019
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 |
OXE | ORTHO-XYLENE | A,B | 3E0X | 0.75 | |
OXE | ORTHO-XYLENE | A | 188L | 0.75 | |
R13 | 3-METHYL-7-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL) -OCTA-2,4,6-TRIENOIC ACID | A | 2CBS | 0.72 | |
5PV | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.7 | |
I4B | ISOBUTYLBENZENE | A | 184L | 0.77 | |
787 | (PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACID | A | 1O4R | 0.7 | |
PPP | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.72 | |
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 | |
PXY | PARA-XYLENE | A | 187L | 0.77 | |
PXY | PARA-XYLENE | A | 225L | 0.77 | |
RS7 | (2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID | A,B | 2P0M | 0.78 | |
RS7 | (2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID | A | 1LOX | 0.78 | |
2IB | 2-IODOBENZYL GROUP | I,J,K,L,M,N, O,P | 1GUL | 0.72 | |
GW5 | (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID | A,B,C | 1R5K | 0.71 | |
ARL | 7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID | A | 1NQ7 | 0.76 | |
2HR | HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS1 | 0.73 | |
2HT | 3-methylbenzonitrile | A,B | 3F88 | 0.72 | |
2HS | HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS2 | 0.73 | |
FPR | PROPYLBENZENE | C | 1RHK | 0.77 | |
PBA | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.8 | |
CVB | 4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID | A,B | 1KE0 | 0.73 | |
1PB | 1,4-DIPHENYL-2-BUTENE | A,B | 1OJ9 | 0.75 | |
PPT | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.71 | |
MBN | TOLUENE | A,B | 3D7O | 0.76 | |
MBN | TOLUENE | A,B | 1R1X | 0.76 | |
MBN | TOLUENE | A,B | 1JLX | 0.76 | |
MBN | TOLUENE | A,B,C,D | 3D17 | 0.76 | |
MBN | TOLUENE | A,B | 2VRL | 0.76 | |
MBN | TOLUENE | A,I | 2Z3E | 0.76 | |
MBN | TOLUENE | A,B | 1YZI | 0.76 | |
MBN | TOLUENE | A,B | 2DN1 | 0.76 | |
MBN | TOLUENE | A,B | 3EN1 | 0.76 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.71 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.71 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.71 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.71 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.71 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.71 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE6 | 0.73 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE8 | 0.73 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A,B,C,D,E,F, G,H | 2O78 | 0.73 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.72 | |
PEL | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.72 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.72 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.72 | |
PEL | 2-PHENYL-ETHANOL | A | 1EYW | 0.72 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.72 | |
N4B | N-BUTYLBENZENE | A | 186L | 0.77 | |
PYL | PHENYLETHANE | C | 1B07 | 0.77 | |
PYL | PHENYLETHANE | A,B | 2VRM | 0.77 | |
PYL | PHENYLETHANE | A | 1NHB | 0.77 | |
BDB | A,B | 1KE3 | 0.76 |