Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00829535
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 |
PRR | 3-(METHYL-PYRIDINIUM)ALANINE | H,I,J | 7KME | 0.71 | |
G44 | 4-({[4-(3-METHYLBENZOYL)PYRIDIN- 2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE | C,D | 2PKS | 0.7 | |
3DD | (2R,3R)-4-(4-AMINO-1H-IMIDAZO[4,5- C]PYRIDIN-1-YL)-2,3-DIHYDROXYBUTANOIC ACID | A,B,C,D,E,F, G,H | 2H5L | 0.71 | |
PAQ | 2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDINE)PHENYLALANINE | A,B,C,D | 2C11 | 0.71 | |
PAQ | 2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDINE)PHENYLALANINE | A,B | 1SPU | 0.71 | |
JNK | N-{2'-[(4-FLUOROPHENYL)AMINO]-4,4'- BIPYRIDIN-2-YL}-4-METHOXYCYCLOHEXANECARBOXAMIDE | X | 2EXC | 0.7 | |
218 | 1-[(4-AMINO-2-METHYLPYRIMIDIN-5- YL)METHYL]-3-(2-HYDROXYETHYL)-2- METHYLPYRIDINIUM | A | 2HOP | 0.7 | |
CBQ | [(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO- METHYL]-PHOSPHONIC ACID | A,B | 1T1S | 0.73 | |
AT2 | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E7S | 0.77 | |
AT2 | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E7M | 0.77 | |
AT2 | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B,C,D | 3E7G | 0.77 | |
LI8 | N-(3-{[5-BROMO-2-({3-[(PYRROLIDIN- 1-YLCARBONYL)AMINO]PHENYL}AMINO)PYRIMIDIN- 4-YL]AMINO}PROPYL)-2,2-DIMETHYLMALONAMIDE | A | 1Z5M | 0.7 | |
DA1 | PYRIDINE-2,5-DIAMINE | A | 2AQD | 0.75 | |
A11 | ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E6L | 0.76 | |
SX2 | 4-[(5-bromopyridin-2-yl)amino]- 4-oxobutanoic acid | A,B | 3CJ0 | 0.94 | |
1BY | [2-(PYRIDIN-2-YLAMINO)ETHANE-1,1- DIYL]BIS(PHOSPHONIC ACID) | A,B | 2I19 | 0.79 | |
TRN | NZ2-TRYPTOPHAN | A,B,C | 1AM7 | 0.71 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.75 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.75 | |
8AP | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.71 | |
DZF | 5-DEAZAFOLIC ACID | A,B | 2DHF | 0.7 | |
DZF | 5-DEAZAFOLIC ACID | A,B | 1DYH | 0.7 | |
DZF | 5-DEAZAFOLIC ACID | A,B,C,D | 1CDE | 0.7 | |
PAA | (N-METHYLPYRIDYL)ACETIC ACID | I | 1HBT | 0.72 | |
CC3 | N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN- 2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE | A | 2NP8 | 0.71 | |
475 | N-[oxo(pyridin-2-ylamino)acetyl]- beta-D-glucopyranosylamine | A | 3CUV | 0.75 | |
AXD | 2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)- 5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)- 4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID | B | 2I03 | 0.73 | |
OPN | {(2-AMINO-ETHYL)-[2-(2-OXO-1,2- DIHYDRO-[1,8]NAPHTHYRIDIN-3-YL)- ACETYL]-AMINO}-ACETIC ACID | A,B,C,D | 1HZS | 0.81 | |
LG4 | 5-METHYLPYRIDIN-2-AMINE | A | 2EUP | 0.76 | |
NFL | 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID | A | 1TD7 | 0.72 | |
2AP | 2-AMINOPYRIDINE | A | 1AEO | 0.76 | |
26D | PYRIDINE-2,6-DIAMINE | A | 2ANZ | 0.71 | |
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 |