Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00479749
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 |
DA1![]() | PYRIDINE-2,5-DIAMINE | A | 2AQD | 0.72 | ![]() |
JNK![]() | N-{2'-[(4-FLUOROPHENYL)AMINO]-4,4'- BIPYRIDIN-2-YL}-4-METHOXYCYCLOHEXANECARBOXAMIDE | X | 2EXC | 0.72 | ![]() |
OPN![]() | {(2-AMINO-ETHYL)-[2-(2-OXO-1,2- DIHYDRO-[1,8]NAPHTHYRIDIN-3-YL)- ACETYL]-AMINO}-ACETIC ACID | A,B,C,D | 1HZS | 0.75 | ![]() |
2AP![]() | 2-AMINOPYRIDINE | A | 1AEO | 0.74 | ![]() |
LG4![]() | 5-METHYLPYRIDIN-2-AMINE | A | 2EUP | 0.75 | ![]() |
368![]() | (1R)-2-{[AMINO(IMINO)METHYL]AMINO}- 1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE | A | 1ZLR | 0.7 | ![]() |
8AP![]() | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.72 | ![]() |
NVP![]() | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1S1X | 0.71 | ![]() |
NVP![]() | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1LWE | 0.71 | ![]() |
NVP![]() | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1LW0 | 0.71 | ![]() |
NVP![]() | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 2HND | 0.71 | ![]() |
NVP![]() | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1FKP | 0.71 | ![]() |
NVP![]() | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1S1U | 0.71 | ![]() |
NVP![]() | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1LWF | 0.71 | ![]() |
NVP![]() | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 2HNY | 0.71 | ![]() |
NVP![]() | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1VRT | 0.71 | ![]() |
NVP![]() | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1LWC | 0.71 | ![]() |
NVP![]() | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1JLB | 0.71 | ![]() |
NVP![]() | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 3HVT | 0.71 | ![]() |
NVP![]() | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL- 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN- 6-ONE | A | 1JLF | 0.71 | ![]() |
SX2![]() | 4-[(5-bromopyridin-2-yl)amino]- 4-oxobutanoic acid | A,B | 3CJ0 | 0.76 | ![]() |
G44![]() | 4-({[4-(3-METHYLBENZOYL)PYRIDIN- 2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE | C,D | 2PKS | 0.73 | ![]() |
1SQ![]() | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.71 | ![]() |
IMB![]() | [(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO- METHYL]-PHOSPHONIC ACID | A,B | 1T1R | 0.7 | ![]() |
P5C![]() | 2-{[(1R,2S)-2-aminocyclohexyl]amino}- 4-[(3-methylphenyl)amino]pyrimidine- 5-carboxamide | A | 3FQE | 0.7 | ![]() |
PRR![]() | 3-(METHYL-PYRIDINIUM)ALANINE | H,I,J | 7KME | 0.7 | ![]() |
CBQ![]() | [(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO- METHYL]-PHOSPHONIC ACID | A,B | 1T1S | 0.71 | ![]() |
NFL![]() | 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID | A | 1TD7 | 0.75 | ![]() |
PAQ![]() | 2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDINE)PHENYLALANINE | A,B,C,D | 2C11 | 0.72 | ![]() |
PAQ![]() | 2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDINE)PHENYLALANINE | A,B | 1SPU | 0.72 | ![]() |
1BY![]() | [2-(PYRIDIN-2-YLAMINO)ETHANE-1,1- DIYL]BIS(PHOSPHONIC ACID) | A,B | 2I19 | 0.74 | ![]() |
BVF![]() | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.74 | ![]() |
BVF![]() | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.74 | ![]() |
AT2![]() | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E7S | 0.8 | ![]() |
AT2![]() | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E7M | 0.8 | ![]() |
AT2![]() | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B,C,D | 3E7G | 0.8 | ![]() |
A11![]() | ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E6L | 0.77 | ![]() |
475![]() | N-[oxo(pyridin-2-ylamino)acetyl]- beta-D-glucopyranosylamine | A | 3CUV | 0.72 | ![]() |
S91![]() | [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN- 2-YL}AMINO)PHENYL]ACETIC ACID | A | 2Z8C | 0.71 | ![]() |
S91![]() | [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN- 2-YL}AMINO)PHENYL]ACETIC ACID | A | 2Z7L | 0.71 | ![]() |