Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00318706
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 |
7X8![]() | 3-({4-[(5-CHLORO-1,3-BENZODIOXOL- 4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE | A | 2VX1 | 0.71 | ![]() |
C4C![]() | N-(4-chlorobenzyl)-N',N'-dimethyl- N-pyridin-2-ylethane-1,2-diamine | A | 2RA7 | 0.71 | ![]() |
NIX![]() | NALIDIXIC ACID | A,B | 2BQ2 | 0.71 | ![]() |
324![]() | N-{3-[(5-chloro-1H-pyrrolo[2,3- b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane- 1-sulfonamide | A,B | 3C4C | 0.7 | ![]() |
A96![]() | 6-chloro-N-pyrimidin-5-yl-3-{[3- (trifluoromethyl)phenyl]amino}- 1,2-benzisoxazole-7-carboxamide | A,B | 3DTW | 0.7 | ![]() |
368![]() | (1R)-2-{[AMINO(IMINO)METHYL]AMINO}- 1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE | A | 1ZLR | 0.74 | ![]() |
NFL![]() | 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID | A | 1TD7 | 0.88 | ![]() |
BI9![]() | 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN- 4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)- N-METHYLBENZAMIDE | A | 2JKK | 0.71 | ![]() |
AXD![]() | 2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)- 5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)- 4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID | B | 2I03 | 0.71 | ![]() |
FXA![]() | N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)- 4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE | A | 3CEN | 0.72 | ![]() |
G44![]() | 4-({[4-(3-METHYLBENZOYL)PYRIDIN- 2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE | C,D | 2PKS | 0.71 | ![]() |
859![]() | 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN- 4-YL}AMINO)BENZAMIDE | A,B | 2NO3 | 0.75 | ![]() |
DZF![]() | 5-DEAZAFOLIC ACID | A,B | 2DHF | 0.72 | ![]() |
DZF![]() | 5-DEAZAFOLIC ACID | A,B | 1DYH | 0.72 | ![]() |
DZF![]() | 5-DEAZAFOLIC ACID | A,B,C,D | 1CDE | 0.72 | ![]() |
246![]() | 1-benzyl-3-(2-chloropyridin-4-yl)urea | A | 2QPM | 0.71 | ![]() |
1FR![]() | 3-[3-chloro-5-(5-{[(1S)-1-phenylethyl]amino}isoxazolo[5,4- c]pyridin-3-yl)phenyl]propan-1- ol | A | 3DB8 | 0.7 | ![]() |
608![]() | N-(4-phenoxyphenyl)-2-[(pyridin- 4-ylmethyl)amino]nicotinamide | A,B | 2P2I | 0.74 | ![]() |
L1C![]() | (2R,4S)-N^1^-(4-chlorophenyl)-4- (2,4-difluorophenyl)-4-hydroxy- N^2^-(2-oxo-2H-1,3'-bipyridin-6'- yl)pyrrolidine-1,2-dicarboxamide | A | 2W3I | 0.71 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHQ | 0.76 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5L | 0.76 | ![]() |
NIO![]() | NICOTINIC ACID | A | 2F7F | 0.76 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5K | 0.76 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHY | 0.76 | ![]() |
NIO![]() | NICOTINIC ACID | A,B | 1FSL | 0.76 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5M | 0.76 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1LH6 | 0.76 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHO | 0.76 | ![]() |
NIO![]() | NICOTINIC ACID | A | 3CI8 | 0.76 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D | 1ICU | 0.76 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.76 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHA | 0.76 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHV | 0.76 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L4N | 0.76 | ![]() |
NIO![]() | NICOTINIC ACID | A | 2LH6 | 0.76 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1D0V | 0.76 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D | 1ICV | 0.76 | ![]() |
NIO![]() | NICOTINIC ACID | A,B | 1ICR | 0.76 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHR | 0.76 | ![]() |
L17![]() | L17 | A,B | 1Z71 | 0.72 | ![]() |
24X![]() | H,L | 2EC9 | 0.74 | ![]() |