Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00782407
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 |
RM1 | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.72 |  |
N5T | (2S)-4-(2,5-DIFLUOROPHENYL)-N,N- DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H- PYRROLE-1-CARBOXAMIDE | A,B | 2FL6 | 0.73 | |
263 | 1-(azidomethyl)-3-methylbenzene | X | 2RB2 | 0.73 | |
L18 | (2S)-1-methyl-2-[(2S,4R)-2-methyl- 4-phenylpentyl]piperidine | A | 2JJG | 0.82 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.73 | |
4FP | 4-(4-FLUOROBENZYL)PIPERIDINE | A | 2OHN | 0.71 | |
UFO | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.71 | |
DPK | DEPRENYL | A,B | 2BYB | 0.81 | |
PZQ | PRAZIQUANTEL | A | 1GTB | 0.74 | |
N2T | (2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL- 2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO- 1H-PYRROLE-1-CARBOXAMIDE | A,B | 2FKY | 0.73 | |
1PC | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE | B,C | 2PCP | 0.86 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIM | 0.76 | |
| PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIL | 0.76 | |
RMA | N-[(1S)-2,3-DIHYDRO-1H-INDEN-1- YL]-N-METHYL-N-PROP-2-YNYLAMINE | A,B | 1S3B | 0.75 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A,I | 1GVV | 0.71 | |
| TRJ | META-DI(AMINOMETHYL)BENZENE | A | 1FQ5 | 0.71 | |
F1H | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide | A | 2ZJH | 0.72 | |
IXX | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.73 | |
BTM | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.81 | |
DMX | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE- 1-SULFONATE | A,B,C,D | 1TP7 | 0.71 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.74 | |
DR1 | 5-METHYL-5H-INDOLO[3,2-B]QUINOLINE | A | 1K9G | 0.72 | |
MM2 | 1,1'-[1,4-PHENYLENEBIS(METHYLENE)]BIS[1,4,8,11- TETRAAZA-CYCLOTETRADECANE]CU(II)2 | A | 1YIL | 0.75 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.71 | |
| NFP | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.71 | |
MM5 | 1,1'-[1,4-PHENYLENEBIS(METHYLENE)]BIS[1,4,8,11- TETRAAZACYCLOTETRADECANE]NI(II) | A | 2H9J | 0.75 | |
4PI | N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE | A,B | 2NSD | 0.72 | |
267 | 1-(azidomethyl)-3-methylbenzene | A | 2RBQ | 0.73 | |
IDI | 7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE | A,B | 1N7J | 0.71 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.71 | |
| BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.71 | |
| BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.71 | |