Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02247487
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 |
FPR | PROPYLBENZENE | C | 1RHK | 0.75 | |
TLD | 4-methylbenzene-1,2-dithiol | A | 2Z94 | 0.73 | |
BDB | A,B | 1KE3 | 0.74 | ||
MAJ | indane-5-sulfonamide | A | 2QOA | 0.73 | |
OXE | ORTHO-XYLENE | A,B | 3E0X | 0.73 | |
OXE | ORTHO-XYLENE | A | 188L | 0.73 | |
PVS | (ethenylsulfonyl)benzene | A | 3BLU | 0.75 | |
PBA | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.81 | |
HZH | 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one | A,B | 3DEA | 0.71 | |
BNS | HYDROSULFONYLBENZENE | 1 | 1YYY | 0.76 | |
BNS | HYDROSULFONYLBENZENE | A | 1MEM | 0.76 | |
BNS | HYDROSULFONYLBENZENE | A,D,E | 1FH0 | 0.76 | |
BNS | HYDROSULFONYLBENZENE | A,B,C,D | 1PQ9 | 0.76 | |
MBN | TOLUENE | A,B | 3D7O | 0.77 | |
MBN | TOLUENE | A,B | 1R1X | 0.77 | |
MBN | TOLUENE | A,B | 1JLX | 0.77 | |
MBN | TOLUENE | A,B,C,D | 3D17 | 0.77 | |
MBN | TOLUENE | A,B | 2VRL | 0.77 | |
MBN | TOLUENE | A,I | 2Z3E | 0.77 | |
MBN | TOLUENE | A,B | 1YZI | 0.77 | |
MBN | TOLUENE | A,B | 2DN1 | 0.77 | |
MBN | TOLUENE | A,B | 3EN1 | 0.77 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | A,B | 3B2Q | 0.71 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | O,P,Q,R | 2B4T | 0.71 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | O,P,Q,R | 2B4R | 0.71 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | A,B | 3EIU | 0.71 | |
NAS | 2-NAPHTHALENESULFONIC ACID | I | 1QUR | 0.77 | |
NAS | 2-NAPHTHALENESULFONIC ACID | E,I | 1PPC | 0.77 | |
NAS | 2-NAPHTHALENESULFONIC ACID | H | 1ETS | 0.77 | |
PXY | PARA-XYLENE | A | 187L | 0.75 | |
PXY | PARA-XYLENE | A | 225L | 0.75 | |
2IB | 2-IODOBENZYL GROUP | I,J,K,L,M,N, O,P | 1GUL | 0.72 | |
PMB | PARA-MERCURY-BENZENESULFONIC ACID | B | 1BH9 | 0.8 | |
PMB | PARA-MERCURY-BENZENESULFONIC ACID | H | 1HDK | 0.8 | |
PMB | PARA-MERCURY-BENZENESULFONIC ACID | A | 1HJ1 | 0.8 | |
PMB | PARA-MERCURY-BENZENESULFONIC ACID | A,B,C,D | 1YP2 | 0.8 | |
PMB | PARA-MERCURY-BENZENESULFONIC ACID | A | 1XZC | 0.8 | |
1PB | 1,4-DIPHENYL-2-BUTENE | A,B | 1OJ9 | 0.71 | |
DMX | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE- 1-SULFONATE | A,B,C,D | 1TP7 | 0.74 | |
BPS | A,B | 2DE4 | 0.81 | ||
SML | PHENYL METHYL SULFONE | A,I | 1D6W | 0.74 | |
SML | PHENYL METHYL SULFONE | A,I | 1D9I | 0.74 | |
787 | (PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACID | A | 1O4R | 0.73 | |
I4B | ISOBUTYLBENZENE | A | 184L | 0.73 | |
TOS | P-SULFINOTOLUENE | H | 1ETT | 0.87 | |
TOS | P-SULFINOTOLUENE | I | 4PAD | 0.87 | |
TOS | P-SULFINOTOLUENE | A | 1EST | 0.87 | |
TOS | P-SULFINOTOLUENE | C,G | 2CHA | 0.87 | |
TOS | P-SULFINOTOLUENE | E | 1PPH | 0.87 | |
B69 | A | 2ZCR | 0.75 | ||
256 | PHENYL(SULFO)ACETIC ACID | A | 1O4Q | 0.73 | |
PYL | PHENYLETHANE | C | 1B07 | 0.75 | |
PYL | PHENYLETHANE | A,B | 2VRM | 0.75 | |
PYL | PHENYLETHANE | A | 1NHB | 0.75 | |
PBC | PHENYL BORONIC ACID | A | 2A32 | 0.71 | |
PBC | PHENYL BORONIC ACID | A | 1JU3 | 0.71 | |
PTF | [(METHYLSULFANYL)METHYL]BENZENE | C,F | 1RHQ | 0.8 | |
PMS | BENZYLSULFINIC ACID | B | 1PNM | 0.98 | |
PMS | BENZYLSULFINIC ACID | A,B | 1SH7 | 0.98 | |
PMS | BENZYLSULFINIC ACID | B,C | 1BB0 | 0.98 | |
PMS | BENZYLSULFINIC ACID | A,B | 1S2N | 0.98 | |
PMS | BENZYLSULFINIC ACID | A,B | 1WB8 | 0.98 | |
PMS | BENZYLSULFINIC ACID | A,B,C | 3CE4 | 0.98 | |
PMS | BENZYLSULFINIC ACID | A,B | 1Y9Z | 0.98 | |
PMS | BENZYLSULFINIC ACID | A | 3H18 | 0.98 | |
PMS | BENZYLSULFINIC ACID | A | 3H17 | 0.98 | |
PMS | BENZYLSULFINIC ACID | A | 2CBG | 0.98 | |
PMS | BENZYLSULFINIC ACID | A | 1SUP | 0.98 | |
PMS | BENZYLSULFINIC ACID | A,B | 1V6C | 0.98 | |
PMS | BENZYLSULFINIC ACID | A,B | 1WPR | 0.98 | |
PMS | BENZYLSULFINIC ACID | A,B | 1EQ9 | 0.98 | |
PMS | BENZYLSULFINIC ACID | A,B | 1AUR | 0.98 | |
PMS | BENZYLSULFINIC ACID | A | 1KLT | 0.98 | |
PMS | BENZYLSULFINIC ACID | B,C | 1CA8 | 0.98 | |
PMS | BENZYLSULFINIC ACID | A | 2GKO | 0.98 | |
PMS | BENZYLSULFINIC ACID | B,C,D | 1BA8 | 0.98 | |
N4B | N-BUTYLBENZENE | A | 186L | 0.75 | |
BBS | 4-TERT-BUTYLBENZENESULFONIC ACID | B | 1EOJ | 0.82 | |
BBS | 4-TERT-BUTYLBENZENESULFONIC ACID | B | 1EOL | 0.82 | |
IBZ | 2-IODOBENZYLTHIO GROUP | A,B | 1CEL | 0.8 | |
BIH | NAPHTHALENE-2,6-DISULFONIC ACID | A | 1U4S | 0.75 | |
B70 | tripotassium (1R)-4-biphenyl-4- yl-1-phosphonatobutane-1-sulfonate | A | 2ZCS | 0.76 | |
SEH | S-BENZYL PHENYLACETOTHIOHYDROXIMATE- O-SULFATE | M | 1W9D | 0.76 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 2OUA | 0.74 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B,C,D | 2AJC | 0.74 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 3PRO | 0.74 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 2PFE | 0.74 | |
TSU | PARA-TOLUENE SULFONATE | A,B | 1WUW | 0.89 | |
TSU | PARA-TOLUENE SULFONATE | A | 1B0D | 0.89 |