Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00004042
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 |
LUM | LUMICHROME | A | 2CC6 | 0.74 |  |
| LUM | LUMICHROME | A,B | 1S4M | 0.74 | |
| LUM | LUMICHROME | A | 2CC7 | 0.74 | |
| LUM | LUMICHROME | A | 1HE5 | 0.74 | |
NCA | NICOTINAMIDE | A,B | 2E5D | 0.75 | |
| NCA | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.75 | |
| NCA | NICOTINAMIDE | A,B | 1DMA | 0.75 | |
| NCA | NICOTINAMIDE | A,B | 1ISM | 0.75 | |
| NCA | NICOTINAMIDE | A,B | 1YC5 | 0.75 | |
| NCA | NICOTINAMIDE | A | 2ZB7 | 0.75 | |
| NCA | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.75 | |
| NCA | NICOTINAMIDE | A,B | 2QQG | 0.75 | |
| NCA | NICOTINAMIDE | A | 2OTV | 0.75 | |
| NCA | NICOTINAMIDE | A | 2QHF | 0.75 | |
| NCA | NICOTINAMIDE | A,B,C,D | 2C8A | 0.75 | |
| NCA | NICOTINAMIDE | A,B | 2HJH | 0.75 | |
| NCA | NICOTINAMIDE | A | 2A15 | 0.75 | |
| NCA | NICOTINAMIDE | A | 2R6V | 0.75 | |
| NCA | NICOTINAMIDE | A,B | 1ISI | 0.75 | |
| NCA | NICOTINAMIDE | A,D,E | 2R9J | 0.75 | |
| NCA | NICOTINAMIDE | A | 2H4J | 0.75 | |
| NCA | NICOTINAMIDE | A,B | 2OD9 | 0.75 | |
| NCA | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.75 | |
| NCA | NICOTINAMIDE | A,B | 3DZG | 0.75 | |
| NCA | NICOTINAMIDE | A | 1OJU | 0.75 | |
B14 | 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'- DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)- QUINAZOLINE]-4'-AMINE | A,B | 3E7T | 0.71 | |
U05 | 6,11-DIHYDRO-11-ETHYL-6-METHYL- 9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN- 5-ONE | A | 1RTH | 0.7 | |
| U05 | 6,11-DIHYDRO-11-ETHYL-6-METHYL- 9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN- 5-ONE | A | 1RT3 | 0.7 | |
| U05 | 6,11-DIHYDRO-11-ETHYL-6-METHYL- 9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN- 5-ONE | A | 1LW2 | 0.7 | |
2AQ | QUINOLIN-2-AMINE | A | 2OHL | 0.74 | |
AS3 | 4-METHYL-6-PROPYLPYRIDIN-2-AMINE | A,B | 3E6N | 0.8 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.71 | |
| BVF | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.71 | |
PRC | N-[4-METHYL-3-[[4-(3-PYRIDINYL)- 2-PYRIMIDINYL]AMINO]PHENYL]-3-PYRIDINECARBOXAMIDE | A,B | 1FPU | 0.73 | |
LG4 | 5-METHYLPYRIDIN-2-AMINE | A | 2EUP | 0.7 | |
26D | PYRIDINE-2,6-DIAMINE | A | 2ANZ | 0.7 | |
C92 | N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)- 4-methyl-benzene-1,3-dicarboxamide | A,B | 3CPB | 0.72 | |
PB3 | N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE- 4,6-DICARBOXAMIDE | A,B | 1XUC | 0.71 | |
MYT | METYRAPONE | A | 1PHG | 0.71 | |
| MYT | METYRAPONE | A | 1W0G | 0.71 | |
P5C | 2-{[(1R,2S)-2-aminocyclohexyl]amino}- 4-[(3-methylphenyl)amino]pyrimidine- 5-carboxamide | A | 3FQE | 0.7 | |
AT6 | N-[2-(6-AMINO-4-METHYLPYRIDIN-2- YL)ETHYL]-4-CYANOBENZAMIDE | A,B | 3E68 | 0.8 | |
NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1S1X | 0.75 | |
| NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1LWE | 0.75 | |
| NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1LW0 | 0.75 | |
| NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 2HND | 0.75 | |
| NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1FKP | 0.75 | |
| NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1S1U | 0.75 | |
| NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1LWF | 0.75 | |
| NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 2HNY | 0.75 | |
| NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1VRT | 0.75 | |
| NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1LWC | 0.75 | |
| NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1JLB | 0.75 | |
| NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 3HVT | 0.75 | |
| NVP | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1JLF | 0.75 | |
8AD | 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE- 4-CARBOXAMIDE | A,B | 1FN2 | 0.72 | |
| 8AD | 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE- 4-CARBOXAMIDE | A,B | 1FN1 | 0.72 | |
NIX | NALIDIXIC ACID | A,B | 2BQ2 | 0.72 | |
AAI | trans-4-(7-carbamoyl-1H-benzimidazol- 2-yl)-1-propylpiperidinium | A | 2RCW | 0.71 | |
7AD | 9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE- 4-CARBOXAMIDE | A,B | 1RQY | 0.72 | |
DX7 | 2-amino-4-oxo-6-phenyl-4,7-dihydro- 3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | A,B,C,D | 3BMJ | 0.74 | |
CP7 | 6-ETHYL-5-PHENYLPYRIMIDINE-2,4- DIAMINE | A | 2BLC | 0.72 | |
| CP7 | 6-ETHYL-5-PHENYLPYRIMIDINE-2,4- DIAMINE | A | 2BLB | 0.72 | |
PBO | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 0.73 | |
JI2 | N-{(3S,4S)-4-[(6-aminopyridin-2- yl)methyl]pyrrolidin-3-yl}ethane- 1,2-diamine | A,B | 3B3N | 0.7 | |
| JI2 | N-{(3S,4S)-4-[(6-aminopyridin-2- yl)methyl]pyrrolidin-3-yl}ethane- 1,2-diamine | A,B | 3DQR | 0.7 | |
9AD | 9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE- 4-CARBOXAMIDE | A | 465D | 0.71 | |
| 9AD | 9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE- 4-CARBOXAMIDE | A | 452D | 0.71 | |