Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00025512
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 |
I4B![]() | ISOBUTYLBENZENE | A | 184L | 0.77 | ![]() |
OXE![]() | ORTHO-XYLENE | A,B | 3E0X | 0.74 | ![]() |
OXE![]() | ORTHO-XYLENE | A | 188L | 0.74 | ![]() |
BDB![]() | A,B | 1KE3 | 0.73 | ![]() | |
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 | 0.72 | ![]() |
NAS![]() | 2-NAPHTHALENESULFONIC ACID | E,I | 1PPC | 0.72 | ![]() |
NAS![]() | 2-NAPHTHALENESULFONIC ACID | H | 1ETS | 0.72 | ![]() |
2HT![]() | 3-methylbenzonitrile | A,B | 3F88 | 0.72 | ![]() |
B70![]() | tripotassium (1R)-4-biphenyl-4- yl-1-phosphonatobutane-1-sulfonate | A | 2ZCS | 0.77 | ![]() |
DMX![]() | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE- 1-SULFONATE | A,B,C,D | 1TP7 | 0.75 | ![]() |
N4B![]() | N-BUTYLBENZENE | A | 186L | 0.76 | ![]() |
MAJ![]() | indane-5-sulfonamide | A | 2QOA | 0.72 | ![]() |
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 | ![]() |
HZH![]() | 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one | A,B | 3DEA | 0.7 | ![]() |
BIH![]() | NAPHTHALENE-2,6-DISULFONIC ACID | A | 1U4S | 0.7 | ![]() |
B69![]() | A | 2ZCR | 0.78 | ![]() | |
BPS![]() | A,B | 2DE4 | 0.77 | ![]() | |
BBS![]() | 4-TERT-BUTYLBENZENESULFONIC ACID | B | 1EOJ | 0.81 | ![]() |
BBS![]() | 4-TERT-BUTYLBENZENESULFONIC ACID | B | 1EOL | 0.81 | ![]() |
FPR![]() | PROPYLBENZENE | C | 1RHK | 0.76 | ![]() |
BNS![]() | HYDROSULFONYLBENZENE | 1 | 1YYY | 0.73 | ![]() |
BNS![]() | HYDROSULFONYLBENZENE | A | 1MEM | 0.73 | ![]() |
BNS![]() | HYDROSULFONYLBENZENE | A,D,E | 1FH0 | 0.73 | ![]() |
BNS![]() | HYDROSULFONYLBENZENE | A,B,C,D | 1PQ9 | 0.73 | ![]() |
IBZ![]() | 2-IODOBENZYLTHIO GROUP | A,B | 1CEL | 0.76 | ![]() |
2IB![]() | 2-IODOBENZYL GROUP | I,J,K,L,M,N, O,P | 1GUL | 0.71 | ![]() |