Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00054691
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 |
PTF | [(METHYLSULFANYL)METHYL]BENZENE | C,F | 1RHQ | 0.74 | |
24I | (2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACID | A | 2C6C | 0.7 | |
DEN | INDENE | A | 183L | 0.73 | |
N4B | N-BUTYLBENZENE | A | 186L | 0.82 | |
PYL | PHENYLETHANE | C | 1B07 | 0.82 | |
PYL | PHENYLETHANE | A,B | 2VRM | 0.82 | |
PYL | PHENYLETHANE | A | 1NHB | 0.82 | |
B70 | tripotassium (1R)-4-biphenyl-4- yl-1-phosphonatobutane-1-sulfonate | A | 2ZCS | 0.75 | |
PBC | PHENYL BORONIC ACID | A | 2A32 | 0.72 | |
PBC | PHENYL BORONIC ACID | A | 1JU3 | 0.72 | |
TSU | PARA-TOLUENE SULFONATE | A,B | 1WUW | 0.71 | |
TSU | PARA-TOLUENE SULFONATE | A | 1B0D | 0.71 | |
2BF | ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID | A,B,C,D | 1ND5 | 0.7 | |
787 | (PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACID | A | 1O4R | 0.92 | |
FEP | [(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)- PHENYL]-BUTYL}-PHENYL)-DIFLUORO- METHYL]-PHOSPHONIC ACID | A | 1KAV | 0.79 | |
B69 | A | 2ZCR | 0.76 | ||
BDB | A,B | 1KE3 | 0.77 | ||
TCA | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE6 | 0.71 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE8 | 0.71 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A,B,C,D,E,F, G,H | 2O78 | 0.71 | |
TOS | P-SULFINOTOLUENE | H | 1ETT | 0.71 | |
TOS | P-SULFINOTOLUENE | I | 4PAD | 0.71 | |
TOS | P-SULFINOTOLUENE | A | 1EST | 0.71 | |
TOS | P-SULFINOTOLUENE | C,G | 2CHA | 0.71 | |
TOS | P-SULFINOTOLUENE | E | 1PPH | 0.71 | |
PPH | [(1R)-1-amino-2-phenylethyl]phosphonic acid | A | 1OS0 | 0.81 | |
PPH | [(1R)-1-amino-2-phenylethyl]phosphonic acid | E,I | 4TMN | 0.81 | |
PPH | [(1R)-1-amino-2-phenylethyl]phosphonic acid | S | 1CGH | 0.81 | |
PXY | PARA-XYLENE | A | 187L | 0.84 | |
PXY | PARA-XYLENE | A | 225L | 0.84 | |
NPY | NAPHTHALENE | A,B | 1O7G | 0.7 | |
4CM | (4-CARBAMIMIDOYLPHENYL)-METHYL- PHOSPHINIC ACID | A | 1TX7 | 0.72 | |
I4B | ISOBUTYLBENZENE | A | 184L | 0.79 | |
2HS | HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS2 | 0.81 | |
MBN | TOLUENE | A,B | 3D7O | 0.81 | |
MBN | TOLUENE | A,B | 1R1X | 0.81 | |
MBN | TOLUENE | A,B | 1JLX | 0.81 | |
MBN | TOLUENE | A,B,C,D | 3D17 | 0.81 | |
MBN | TOLUENE | A,B | 2VRL | 0.81 | |
MBN | TOLUENE | A,I | 2Z3E | 0.81 | |
MBN | TOLUENE | A,B | 1YZI | 0.81 | |
MBN | TOLUENE | A,B | 2DN1 | 0.81 | |
MBN | TOLUENE | A,B | 3EN1 | 0.81 | |
2HR | HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS1 | 0.81 | |
FPR | PROPYLBENZENE | C | 1RHK | 0.82 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBM | 0.71 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBD | 0.71 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1P06 | 0.71 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBI | 0.71 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 8LPR | 0.71 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1DPM | 0.9 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1P6B | 0.9 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1PSC | 0.9 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 3E3H | 0.9 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1QW7 | 0.9 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1P6C | 0.9 | |
1PB | 1,4-DIPHENYL-2-BUTENE | A,B | 1OJ9 | 0.74 | |
FNP | {[7-(DIFLUORO-PHOSPHONO-METHYL)- NAPHTHALEN-2-YL]-DIFLUORO-METHYL}- PHOSPHONIC ACID | A | 1KAK | 0.75 | |
PBA | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.85 | |
2HT | 3-methylbenzonitrile | A,B | 3F88 | 0.71 | |
PMS | BENZYLSULFINIC ACID | B | 1PNM | 0.73 | |
PMS | BENZYLSULFINIC ACID | A,B | 1SH7 | 0.73 | |
PMS | BENZYLSULFINIC ACID | B,C | 1BB0 | 0.73 | |
PMS | BENZYLSULFINIC ACID | A,B | 1S2N | 0.73 | |
PMS | BENZYLSULFINIC ACID | A,B | 1WB8 | 0.73 | |
PMS | BENZYLSULFINIC ACID | A,B,C | 3CE4 | 0.73 | |
PMS | BENZYLSULFINIC ACID | A,B | 1Y9Z | 0.73 | |
PMS | BENZYLSULFINIC ACID | A | 3H18 | 0.73 | |
PMS | BENZYLSULFINIC ACID | A | 3H17 | 0.73 | |
PMS | BENZYLSULFINIC ACID | A | 2CBG | 0.73 | |
PMS | BENZYLSULFINIC ACID | A | 1SUP | 0.73 | |
PMS | BENZYLSULFINIC ACID | A,B | 1V6C | 0.73 | |
PMS | BENZYLSULFINIC ACID | A,B | 1WPR | 0.73 | |
PMS | BENZYLSULFINIC ACID | A,B | 1EQ9 | 0.73 | |
PMS | BENZYLSULFINIC ACID | A,B | 1AUR | 0.73 | |
PMS | BENZYLSULFINIC ACID | A | 1KLT | 0.73 | |
PMS | BENZYLSULFINIC ACID | B,C | 1CA8 | 0.73 | |
PMS | BENZYLSULFINIC ACID | A | 2GKO | 0.73 | |
PMS | BENZYLSULFINIC ACID | B,C,D | 1BA8 | 0.73 | |
OXE | ORTHO-XYLENE | A,B | 3E0X | 0.79 | |
OXE | ORTHO-XYLENE | A | 188L | 0.79 | |
GG3 | {1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE- 1,1-DIYL}BIS(PHOSPHONIC ACID) | A,B | 2P1C | 0.73 | |
GG3 | {1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE- 1,1-DIYL}BIS(PHOSPHONIC ACID) | A,B | 2Z7H | 0.73 | |
PMI | (2-AMINO-2,3-DIHYDRO-1H-INDEN-2- YL)PHOSPHONIC ACID | A,B,C,D,E,F, G,H | 2O7E | 0.75 | |
2IB | 2-IODOBENZYL GROUP | I,J,K,L,M,N, O,P | 1GUL | 0.76 |