Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02316520
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 |
267 | 1-(azidomethyl)-3-methylbenzene | A | 2RBQ | 0.76 | |
B2Y | 1-biphenyl-2-ylmethanamine | A,B,C,D | 3CCB | 0.73 | |
BTM | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.86 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C73 | 0.77 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 1S2Y | 0.77 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C75 | 0.77 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C76 | 0.77 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C72 | 0.77 | |
MBH | 1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM ION | A | 1BMA | 0.72 | |
007 | 1-METHYLAMINE-1-BENZYL-CYCLOPENTANE | A,B,C,D | 2BUA | 0.71 | |
IDI | 7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE | A,B | 1N7J | 0.73 | |
998 | N-METHYLALANYL-3-METHYLVALYL-N- (1,2,3,4-TETRAHYDRONAPHTHALEN-1- YL)PROLINAMIDE | A | 1TFQ | 0.7 | |
DPK | DEPRENYL | A,B | 2BYB | 0.81 | |
1PC | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE | B,C | 2PCP | 0.78 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A,I | 1GVV | 0.73 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A | 1FQ5 | 0.73 | |
DMX | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE- 1-SULFONATE | A,B,C,D | 1TP7 | 0.75 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIM | 0.76 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIL | 0.76 | |
PEA | 2-PHENYLETHYLAMINE | A,B,E,F,G,H | 1MHW | 0.7 | |
PEA | 2-PHENYLETHYLAMINE | A | 1TNJ | 0.7 | |
PEA | 2-PHENYLETHYLAMINE | D,H | 2HKM | 0.7 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTO | 0.7 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Y | 0.7 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Z | 0.7 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6U | 0.7 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTM | 0.7 | |
DR1 | 5-METHYL-5H-INDOLO[3,2-B]QUINOLINE | A | 1K9G | 0.72 | |
RM1 | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.79 | |
L18 | (2S)-1-methyl-2-[(2S,4R)-2-methyl- 4-phenylpentyl]piperidine | A | 2JJG | 0.75 | |
IDM | INDOLINE | A,B | 3CEP | 0.74 | |
IDM | INDOLINE | A | 1AEK | 0.74 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A | 1QWC | 0.71 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1FOI | 0.71 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1QW5 | 0.71 | |
N5T | (2S)-4-(2,5-DIFLUOROPHENYL)-N,N- DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H- PYRROLE-1-CARBOXAMIDE | A,B | 2FL6 | 0.71 | |
263 | 1-(azidomethyl)-3-methylbenzene | X | 2RB2 | 0.76 | |
MM2 | 1,1'-[1,4-PHENYLENEBIS(METHYLENE)]BIS[1,4,8,11- TETRAAZA-CYCLOTETRADECANE]CU(II)2 | A | 1YIL | 0.72 | |
RMA | N-[(1S)-2,3-DIHYDRO-1H-INDEN-1- YL]-N-METHYL-N-PROP-2-YNYLAMINE | A,B | 1S3B | 0.83 | |
MM5 | 1,1'-[1,4-PHENYLENEBIS(METHYLENE)]BIS[1,4,8,11- TETRAAZACYCLOTETRADECANE]NI(II) | A | 2H9J | 0.72 | |
RAS | N-PROPARGYL-1(R)-AMINONDAN | A,B | 2BK4 | 0.77 | |
RAS | N-PROPARGYL-1(R)-AMINONDAN | A,B | 1S2Q | 0.77 | |
BNF | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.71 | |
ABN | BENZYLAMINE | D,H | 2HXC | 0.72 | |
ABN | BENZYLAMINE | A,I | 1A86 | 0.72 | |
ABN | BENZYLAMINE | A | 1UTN | 0.72 | |
ABN | BENZYLAMINE | A | 1N6X | 0.72 | |
ABN | BENZYLAMINE | A | 2BZA | 0.72 | |
ABN | BENZYLAMINE | A | 2EUS | 0.72 | |
ABN | BENZYLAMINE | A | 1N6Y | 0.72 | |
ABN | BENZYLAMINE | A | 1UTJ | 0.72 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.78 | |
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 |