Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01528800
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 |
HZH | 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one | A,B | 3DEA | 0.79 | |
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 | |
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 | |
BCS | BENZYLCYSTEINE | A,B,G,H | 10GS | 0.8 | |
BCS | BENZYLCYSTEINE | A | 1EH8 | 0.8 | |
M5P | (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID | A,B | 2YZ3 | 0.78 | |
CVB | 4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID | A,B | 1KE0 | 0.77 | |
HCI | HYDROCINNAMIC ACID | A,B | 1BXG | 0.73 | |
HCI | HYDROCINNAMIC ACID | A,B | 1TOG | 0.73 | |
HCI | HYDROCINNAMIC ACID | A,B | 1V2F | 0.73 | |
HCI | HYDROCINNAMIC ACID | A,B | 1AHX | 0.73 | |
HCI | HYDROCINNAMIC ACID | A | 1TOI | 0.73 | |
HCI | HYDROCINNAMIC ACID | A,B | 1AY8 | 0.73 | |
HCI | HYDROCINNAMIC ACID | A | 1TOJ | 0.73 | |
PBB | S-(4-BROMOBENZYL)CYSTEINE | A,B,C,D | 1AQV | 0.72 | |
I4B | ISOBUTYLBENZENE | A | 184L | 0.7 | |
SEH | S-BENZYL PHENYLACETOTHIOHYDROXIMATE- O-SULFATE | M | 1W9D | 0.73 | |
PPT | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.75 | |
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 | |
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 | |
CLT | 4-PHENYL-BUTANOIC ACID | A | 1THL | 0.72 | |
CLT | 4-PHENYL-BUTANOIC ACID | A,B | 2AY7 | 0.72 | |
CLT | 4-PHENYL-BUTANOIC ACID | E,I | 1TMN | 0.72 | |
BTP | 2-THIOMETHYL-3-PHENYLPROPANOIC ACID | A,B | 1JAO | 0.78 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.75 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.75 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.75 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.75 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.75 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.75 | |
256 | PHENYL(SULFO)ACETIC ACID | A | 1O4Q | 0.71 | |
5PV | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.74 | |
PBA | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.72 | |
ISA | 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID | A | 1NX3 | 0.76 | |
ISA | 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID | A,B | 1ALW | 0.76 | |
PMS | BENZYLSULFINIC ACID | B | 1PNM | 0.74 | |
PMS | BENZYLSULFINIC ACID | A,B | 1SH7 | 0.74 | |
PMS | BENZYLSULFINIC ACID | B,C | 1BB0 | 0.74 | |
PMS | BENZYLSULFINIC ACID | A,B | 1S2N | 0.74 | |
PMS | BENZYLSULFINIC ACID | A,B | 1WB8 | 0.74 | |
PMS | BENZYLSULFINIC ACID | A,B,C | 3CE4 | 0.74 | |
PMS | BENZYLSULFINIC ACID | A,B | 1Y9Z | 0.74 | |
PMS | BENZYLSULFINIC ACID | A | 3H18 | 0.74 | |
PMS | BENZYLSULFINIC ACID | A | 3H17 | 0.74 | |
PMS | BENZYLSULFINIC ACID | A | 2CBG | 0.74 | |
PMS | BENZYLSULFINIC ACID | A | 1SUP | 0.74 | |
PMS | BENZYLSULFINIC ACID | A,B | 1V6C | 0.74 | |
PMS | BENZYLSULFINIC ACID | A,B | 1WPR | 0.74 | |
PMS | BENZYLSULFINIC ACID | A,B | 1EQ9 | 0.74 | |
PMS | BENZYLSULFINIC ACID | A,B | 1AUR | 0.74 | |
PMS | BENZYLSULFINIC ACID | A | 1KLT | 0.74 | |
PMS | BENZYLSULFINIC ACID | B,C | 1CA8 | 0.74 | |
PMS | BENZYLSULFINIC ACID | A | 2GKO | 0.74 | |
PMS | BENZYLSULFINIC ACID | B,C,D | 1BA8 | 0.74 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.71 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.71 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.71 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE6 | 0.78 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE8 | 0.78 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A,B,C,D,E,F, G,H | 2O78 | 0.78 | |
BIP | 2-BENZYL-3-IODOPROPANOIC ACID | A,B,C,D | 1BAV | 0.71 | |
PTF | [(METHYLSULFANYL)METHYL]BENZENE | C,F | 1RHQ | 0.81 | |
CPM | S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE | A | 1CPS | 0.8 | |
KPV | 5-PHENYL-2-KETO-VALERIC ACID | A,B | 2Q5Q | 0.71 |