Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00108045
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 |
IDI![]() | 7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE | A,B | 1N7J | 0.74 | ![]() |
267![]() | 1-(azidomethyl)-3-methylbenzene | A | 2RBQ | 0.71 | ![]() |
4MD![]() | N-(4-chlorobenzyl)-N-methylbenzene- 1,4-disulfonamide | A,B | 3DA2 | 0.7 | ![]() |
PZQ![]() | PRAZIQUANTEL | A | 1GTB | 0.7 | ![]() |
F1H![]() | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide | A | 2ZJH | 0.71 | ![]() |
RMA![]() | N-[(1S)-2,3-DIHYDRO-1H-INDEN-1- YL]-N-METHYL-N-PROP-2-YNYLAMINE | A,B | 1S3B | 0.74 | ![]() |
DMX![]() | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE- 1-SULFONATE | A,B,C,D | 1TP7 | 0.85 | ![]() |
DPK![]() | DEPRENYL | A,B | 2BYB | 0.76 | ![]() |
F1K![]() | (2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine- 2-carboxamide | A,B,C | 2ZJK | 0.7 | ![]() |
L18![]() | (2S)-1-methyl-2-[(2S,4R)-2-methyl- 4-phenylpentyl]piperidine | A | 2JJG | 0.76 | ![]() |
F1J![]() | (2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine- 2-carboxamide | A | 2ZJJ | 0.7 | ![]() |
ZYX![]() | 4-(2-AMINOETHYL)BENZENESULFONAMIDE | A | 2NNG | 0.7 | ![]() |
PHC![]() | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIM | 0.73 | ![]() |
PHC![]() | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIL | 0.73 | ![]() |
F21![]() | (3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN- 4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE | A,B | 2G72 | 0.73 | ![]() |
F21![]() | (3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN- 4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE | A,B | 2OPB | 0.73 | ![]() |
BHY![]() | N,N'-[biphenyl-4,4'-diyldi(2R)propane- 2,1-diyl]dimethanesulfonamide | A,B | 3BBR | 0.74 | ![]() |
271![]() | N-methyl-1-phenylmethanamine | X | 2RBT | 0.73 | ![]() |
RM1![]() | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.71 | ![]() |
FTS![]() | (3R)-3-(FLUOROMETHYL)-N-(3,3,3- TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE- 7-SULFONAMIDE | A,B | 2G71 | 0.75 | ![]() |
263![]() | 1-(azidomethyl)-3-methylbenzene | X | 2RB2 | 0.71 | ![]() |
BTM![]() | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.8 | ![]() |
B2Y![]() | 1-biphenyl-2-ylmethanamine | A,B,C,D | 3CCB | 0.71 | ![]() |
SKF![]() | 1,2,3,4-TETRAHYDRO-ISOQUINOLINE- 7-SULFONIC ACID AMIDE | A,B | 1HNN | 0.79 | ![]() |
1PC![]() | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE | B,C | 2PCP | 0.79 | ![]() |