Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00025283
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 |
TLD | 4-methylbenzene-1,2-dithiol | A | 2Z94 | 0.75 | |
PXY | PARA-XYLENE | A | 187L | 0.72 | |
PXY | PARA-XYLENE | A | 225L | 0.72 | |
2IB | 2-IODOBENZYL GROUP | I,J,K,L,M,N, O,P | 1GUL | 0.72 | |
PTF | [(METHYLSULFANYL)METHYL]BENZENE | C,F | 1RHQ | 0.72 | |
IBZ | 2-IODOBENZYLTHIO GROUP | A,B | 1CEL | 0.72 | |
FPR | PROPYLBENZENE | C | 1RHK | 0.72 | |
MBN | TOLUENE | A,B | 3D7O | 0.74 | |
MBN | TOLUENE | A,B | 1R1X | 0.74 | |
MBN | TOLUENE | A,B | 1JLX | 0.74 | |
MBN | TOLUENE | A,B,C,D | 3D17 | 0.74 | |
MBN | TOLUENE | A,B | 2VRL | 0.74 | |
MBN | TOLUENE | A,I | 2Z3E | 0.74 | |
MBN | TOLUENE | A,B | 1YZI | 0.74 | |
MBN | TOLUENE | A,B | 2DN1 | 0.74 | |
MBN | TOLUENE | A,B | 3EN1 | 0.74 | |
C2A | 1-(3-CHLOROPHENYL)METHANAMINE | B,I | 2C8Z | 0.72 | |
TCZ | 1,3,5-TRICHLORO-BENZENE | A,B,C,D | 1J51 | 0.71 | |
YAN | 1,2-DICHLOROBENZENE | X | 2OTY | 0.72 | |
N4B | N-BUTYLBENZENE | A | 186L | 0.72 | |
C2B | 1-(4-CHLOROPHENYL)METHANAMINE | D,H | 2Q7Q | 0.7 | |
PYL | PHENYLETHANE | C | 1B07 | 0.72 | |
PYL | PHENYLETHANE | A,B | 2VRM | 0.72 | |
PYL | PHENYLETHANE | A | 1NHB | 0.72 | |
TOS | P-SULFINOTOLUENE | H | 1ETT | 0.7 | |
TOS | P-SULFINOTOLUENE | I | 4PAD | 0.7 | |
TOS | P-SULFINOTOLUENE | A | 1EST | 0.7 | |
TOS | P-SULFINOTOLUENE | C,G | 2CHA | 0.7 | |
TOS | P-SULFINOTOLUENE | E | 1PPH | 0.7 |