Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02218121
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 |
DEN![]() | INDENE | A | 183L | 0.73 | ![]() |
PYL![]() | PHENYLETHANE | C | 1B07 | 0.8 | ![]() |
PYL![]() | PHENYLETHANE | A,B | 2VRM | 0.8 | ![]() |
PYL![]() | PHENYLETHANE | A | 1NHB | 0.8 | ![]() |
F5B![]() | 1,2,3,4,5-pentafluorobenzene | A | 3DN0 | 0.83 | ![]() |
HFB![]() | hexafluorobenzene | A | 3DMZ | 0.71 | ![]() |
I4B![]() | ISOBUTYLBENZENE | A | 184L | 0.77 | ![]() |
IBZ![]() | 2-IODOBENZYLTHIO GROUP | A,B | 1CEL | 0.73 | ![]() |
N4B![]() | N-BUTYLBENZENE | A | 186L | 0.8 | ![]() |
PBC![]() | PHENYL BORONIC ACID | A | 2A32 | 0.93 | ![]() |
PBC![]() | PHENYL BORONIC ACID | A | 1JU3 | 0.93 | ![]() |
2HT![]() | 3-methylbenzonitrile | A,B | 3F88 | 0.7 | ![]() |
PTF![]() | [(METHYLSULFANYL)METHYL]BENZENE | C,F | 1RHQ | 0.7 | ![]() |
OXE![]() | ORTHO-XYLENE | A,B | 3E0X | 0.77 | ![]() |
OXE![]() | ORTHO-XYLENE | A | 188L | 0.77 | ![]() |
PBA![]() | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.77 | ![]() |
FPR![]() | PROPYLBENZENE | C | 1RHK | 0.8 | ![]() |
PA0![]() | Phenylarsine oxide | A | 3E3Z | 0.98 | ![]() |
2IB![]() | 2-IODOBENZYL GROUP | I,J,K,L,M,N, O,P | 1GUL | 0.8 | ![]() |
BT6![]() | benzenethiol | A,B,C,D | 3HSR | 0.86 | ![]() |
TCZ![]() | 1,3,5-TRICHLORO-BENZENE | A,B,C,D | 1J51 | 0.76 | ![]() |
1PB![]() | 1,4-DIPHENYL-2-BUTENE | A,B | 1OJ9 | 0.74 | ![]() |
BNS![]() | HYDROSULFONYLBENZENE | 1 | 1YYY | 0.78 | ![]() |
BNS![]() | HYDROSULFONYLBENZENE | A | 1MEM | 0.78 | ![]() |
BNS![]() | HYDROSULFONYLBENZENE | A,D,E | 1FH0 | 0.78 | ![]() |
BNS![]() | HYDROSULFONYLBENZENE | A,B,C,D | 1PQ9 | 0.78 | ![]() |
BNZ![]() | BENZENE | A | 1L83 | 1 | ![]() |
BNZ![]() | BENZENE | A | 1CP4 | 1 | ![]() |
BNZ![]() | BENZENE | A,B,C,D | 1XXJ | 1 | ![]() |
BNZ![]() | BENZENE | B | 1SWI | 1 | ![]() |
BNZ![]() | BENZENE | A | 181L | 1 | ![]() |
BNZ![]() | BENZENE | A | 223L | 1 | ![]() |
BNZ![]() | BENZENE | A | 3DMX | 1 | ![]() |
BNZ![]() | BENZENE | A | 2Z9G | 1 | ![]() |
BNZ![]() | BENZENE | A | 220L | 1 | ![]() |
BNZ![]() | BENZENE | A | 227L | 1 | ![]() |
BNZ![]() | BENZENE | A,B | 1A7Z | 1 | ![]() |
BNZ![]() | BENZENE | A | 1L84 | 1 | ![]() |
118![]() | TETRAPHENYLANTIMONIUM ION | A | 1EXI | 0.77 | ![]() |
YAN![]() | 1,2-DICHLOROBENZENE | X | 2OTY | 0.77 | ![]() |
PMB![]() | PARA-MERCURY-BENZENESULFONIC ACID | B | 1BH9 | 0.73 | ![]() |
PMB![]() | PARA-MERCURY-BENZENESULFONIC ACID | H | 1HDK | 0.73 | ![]() |
PMB![]() | PARA-MERCURY-BENZENESULFONIC ACID | A | 1HJ1 | 0.73 | ![]() |
PMB![]() | PARA-MERCURY-BENZENESULFONIC ACID | A,B,C,D | 1YP2 | 0.73 | ![]() |
PMB![]() | PARA-MERCURY-BENZENESULFONIC ACID | A | 1XZC | 0.73 | ![]() |
PHG![]() | PHENYLMERCURY | A | 1CZS | 1 | ![]() |
260![]() | 2-(bromomethyl)-1,3-difluorobenzene | X | 2RB0 | 0.72 | ![]() |
PXY![]() | PARA-XYLENE | A | 187L | 0.8 | ![]() |
PXY![]() | PARA-XYLENE | A | 225L | 0.8 | ![]() |
PIH![]() | IODOPHENYL | A | 1UO5 | 0.93 | ![]() |
PIH![]() | IODOPHENYL | A | 3DNA | 0.93 | ![]() |
PIH![]() | IODOPHENYL | A | 1F9O | 0.93 | ![]() |
PIH![]() | IODOPHENYL | A,B | 1UO4 | 0.93 | ![]() |
PIH![]() | IODOPHENYL | A | 3DN4 | 0.93 | ![]() |
TTA![]() | TETRAPHENYL-ARSONIUM | A | 1HYV | 0.77 | ![]() |
MBN![]() | TOLUENE | A,B | 3D7O | 0.83 | ![]() |
MBN![]() | TOLUENE | A,B | 1R1X | 0.83 | ![]() |
MBN![]() | TOLUENE | A,B | 1JLX | 0.83 | ![]() |
MBN![]() | TOLUENE | A,B,C,D | 3D17 | 0.83 | ![]() |
MBN![]() | TOLUENE | A,B | 2VRL | 0.83 | ![]() |
MBN![]() | TOLUENE | A,I | 2Z3E | 0.83 | ![]() |
MBN![]() | TOLUENE | A,B | 1YZI | 0.83 | ![]() |
MBN![]() | TOLUENE | A,B | 2DN1 | 0.83 | ![]() |
MBN![]() | TOLUENE | A,B | 3EN1 | 0.83 | ![]() |
P4P![]() | TETRAPHENYLPHOSPHONIUM | A,M | 1EXJ | 0.73 | ![]() |
P4P![]() | TETRAPHENYLPHOSPHONIUM | A,C | 3B62 | 0.73 | ![]() |
P4P![]() | TETRAPHENYLPHOSPHONIUM | A,B | 1R8E | 0.73 | ![]() |
P4P![]() | TETRAPHENYLPHOSPHONIUM | A | 2BOW | 0.73 | ![]() |
P4P![]() | TETRAPHENYLPHOSPHONIUM | A | 3B5D | 0.73 | ![]() |