Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00681038
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 |
AU4![]() | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.74 | ![]() |
267![]() | 1-(azidomethyl)-3-methylbenzene | A | 2RBQ | 0.71 | ![]() |
1PC![]() | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE | B,C | 2PCP | 0.85 | ![]() |
BTM![]() | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.78 | ![]() |
L18![]() | (2S)-1-methyl-2-[(2S,4R)-2-methyl- 4-phenylpentyl]piperidine | A | 2JJG | 0.8 | ![]() |
N5T![]() | (2S)-4-(2,5-DIFLUOROPHENYL)-N,N- DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H- PYRROLE-1-CARBOXAMIDE | A,B | 2FL6 | 0.74 | ![]() |
RMA![]() | N-[(1S)-2,3-DIHYDRO-1H-INDEN-1- YL]-N-METHYL-N-PROP-2-YNYLAMINE | A,B | 1S3B | 0.73 | ![]() |
N2T![]() | (2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL- 2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO- 1H-PYRROLE-1-CARBOXAMIDE | A,B | 2FKY | 0.74 | ![]() |
PZQ![]() | PRAZIQUANTEL | A | 1GTB | 0.75 | ![]() |
PHC![]() | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIM | 0.73 | ![]() |
PHC![]() | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIL | 0.73 | ![]() |
MM2![]() | 1,1'-[1,4-PHENYLENEBIS(METHYLENE)]BIS[1,4,8,11- TETRAAZA-CYCLOTETRADECANE]CU(II)2 | A | 1YIL | 0.74 | ![]() |
MM5![]() | 1,1'-[1,4-PHENYLENEBIS(METHYLENE)]BIS[1,4,8,11- TETRAAZACYCLOTETRADECANE]NI(II) | A | 2H9J | 0.74 | ![]() |
008![]() | (S)-2-[(R)-3-AMINO-4-(2-FLUORO- PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO- ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE | A,B,C,D | 2BUC | 0.7 | ![]() |
IXX![]() | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.74 | ![]() |
CVI![]() | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.7 | ![]() |
263![]() | 1-(azidomethyl)-3-methylbenzene | X | 2RB2 | 0.71 | ![]() |
271![]() | N-methyl-1-phenylmethanamine | X | 2RBT | 0.72 | ![]() |
DPK![]() | DEPRENYL | A,B | 2BYB | 0.78 | ![]() |
B2Y![]() | 1-biphenyl-2-ylmethanamine | A,B,C,D | 3CCB | 0.71 | ![]() |
4PI![]() | N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE | A,B | 2NSD | 0.73 | ![]() |
51U![]() | D-phenylalanyl-N-(3-methylbenzyl)- L-prolinamide | H,I | 2ZF0 | 0.7 | ![]() |
DR1![]() | 5-METHYL-5H-INDOLO[3,2-B]QUINOLINE | A | 1K9G | 0.73 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BQZ | 0.7 | ![]() |
MGR![]() | MALACHITE GREEN | A | 1Q8N | 0.7 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BR0 | 0.7 | ![]() |
MGR![]() | MALACHITE GREEN | A,D,E | 3BTL | 0.7 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 3BTC | 0.7 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 1JUP | 0.7 | ![]() |
DSM![]() | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.71 | ![]() |
DSM![]() | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.71 | ![]() |