Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02315604
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 |
M28 | 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID | A,B | 2NN1 | 0.72 | |
M28 | 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID | A | 2NNO | 0.72 | |
BTP | 2-THIOMETHYL-3-PHENYLPROPANOIC ACID | A,B | 1JAO | 0.74 | |
BBS | 4-TERT-BUTYLBENZENESULFONIC ACID | B | 1EOJ | 0.74 | |
BBS | 4-TERT-BUTYLBENZENESULFONIC ACID | B | 1EOL | 0.74 | |
ISA | 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID | A | 1NX3 | 0.72 | |
ISA | 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID | A,B | 1ALW | 0.72 | |
PAC | 2-PHENYLACETIC ACID | B | 1PNL | 0.71 | |
PAC | 2-PHENYLACETIC ACID | B | 1K5Q | 0.71 | |
PAC | 2-PHENYLACETIC ACID | B | 1FXH | 0.71 | |
PAC | 2-PHENYLACETIC ACID | A | 2ISF | 0.71 | |
PAC | 2-PHENYLACETIC ACID | A | 2INE | 0.71 | |
SS1 | 1-PHENYLETHANOL | H | 1UM5 | 0.74 | |
B69 | A | 2ZCR | 0.71 | ||
IBP | IBUPROFEN | A | 3FKX | 0.7 | |
IBP | IBUPROFEN | A,B | 2BXG | 0.7 | |
IBP | IBUPROFEN | A,B | 1EQG | 0.7 | |
IBP | IBUPROFEN | A,B,C | 2WD9 | 0.7 | |
IBP | IBUPROFEN | A | 2PWS | 0.7 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.72 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.72 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.72 | |
M5P | (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID | A,B | 2YZ3 | 0.74 | |
BPS | A,B | 2DE4 | 0.71 | ||
PEL | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.76 | |
PEL | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.76 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.76 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.76 | |
PEL | 2-PHENYL-ETHANOL | A | 1EYW | 0.76 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.76 | |
EPT | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.7 | |
OBP | A,B | 2DE3 | 0.72 | ||
LYL | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.71 | |
PPT | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.71 | |
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 | |
PPP | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.76 | |
5PV | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.71 | |
256 | PHENYL(SULFO)ACETIC ACID | A | 1O4Q | 0.84 | |
SMF | 4-SULFOMETHYL-L-PHENYLALANINE | D,H | 1O0D | 0.71 | |
SMF | 4-SULFOMETHYL-L-PHENYLALANINE | D,H | 2FES | 0.71 | |
SMF | 4-SULFOMETHYL-L-PHENYLALANINE | H,P | 2ANK | 0.71 | |
SMF | 4-SULFOMETHYL-L-PHENYLALANINE | D,H | 2FEQ | 0.71 | |
SMF | 4-SULFOMETHYL-L-PHENYLALANINE | H,P | 2A2X | 0.71 | |
SMF | 4-SULFOMETHYL-L-PHENYLALANINE | D,H | 1NZQ | 0.71 | |
PMS | BENZYLSULFINIC ACID | B | 1PNM | 0.78 | |
PMS | BENZYLSULFINIC ACID | A,B | 1SH7 | 0.78 | |
PMS | BENZYLSULFINIC ACID | B,C | 1BB0 | 0.78 | |
PMS | BENZYLSULFINIC ACID | A,B | 1S2N | 0.78 | |
PMS | BENZYLSULFINIC ACID | A,B | 1WB8 | 0.78 | |
PMS | BENZYLSULFINIC ACID | A,B,C | 3CE4 | 0.78 | |
PMS | BENZYLSULFINIC ACID | A,B | 1Y9Z | 0.78 | |
PMS | BENZYLSULFINIC ACID | A | 3H18 | 0.78 | |
PMS | BENZYLSULFINIC ACID | A | 3H17 | 0.78 | |
PMS | BENZYLSULFINIC ACID | A | 2CBG | 0.78 | |
PMS | BENZYLSULFINIC ACID | A | 1SUP | 0.78 | |
PMS | BENZYLSULFINIC ACID | A,B | 1V6C | 0.78 | |
PMS | BENZYLSULFINIC ACID | A,B | 1WPR | 0.78 | |
PMS | BENZYLSULFINIC ACID | A,B | 1EQ9 | 0.78 | |
PMS | BENZYLSULFINIC ACID | A,B | 1AUR | 0.78 | |
PMS | BENZYLSULFINIC ACID | A | 1KLT | 0.78 | |
PMS | BENZYLSULFINIC ACID | B,C | 1CA8 | 0.78 | |
PMS | BENZYLSULFINIC ACID | A | 2GKO | 0.78 | |
PMS | BENZYLSULFINIC ACID | B,C,D | 1BA8 | 0.78 | |
CPM | S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE | A | 1CPS | 0.71 | |
TSU | PARA-TOLUENE SULFONATE | A,B | 1WUW | 0.74 | |
TSU | PARA-TOLUENE SULFONATE | A | 1B0D | 0.74 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.74 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.74 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.74 | |
12M | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.72 | |
TOS | P-SULFINOTOLUENE | H | 1ETT | 0.72 | |
TOS | P-SULFINOTOLUENE | I | 4PAD | 0.72 | |
TOS | P-SULFINOTOLUENE | A | 1EST | 0.72 | |
TOS | P-SULFINOTOLUENE | C,G | 2CHA | 0.72 | |
TOS | P-SULFINOTOLUENE | E | 1PPH | 0.72 | |
4FA | 4-FLUOROPHENETHYL ALCOHOL | A | 1OWZ | 0.74 |