Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00042106
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 |
AAI![]() | trans-4-(7-carbamoyl-1H-benzimidazol- 2-yl)-1-propylpiperidinium | A | 2RCW | 0.73 | ![]() |
35A![]() | N-[(5R,14R)-5-AMINO-5,14-DIMETHYL- 4-OXO-3-OXA-18-AZATRICYCLO[15.3.1.1~7,11~]DOCOSA- 1(21),7(22),8,10,17,19-HEXAEN-19- YL]-N-METHYLMETHANESULFONAMIDE | A | 2PH8 | 0.72 | ![]() |
DQU![]() | 2,6-DIAMINO-3H-QUINAZOLIN-4-ONE | A | 1R5Y | 0.75 | ![]() |
DQU![]() | 2,6-DIAMINO-3H-QUINAZOLIN-4-ONE | A | 1Q4W | 0.75 | ![]() |
4RB![]() | 4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2- b]pyridazin-3-yl)benzoic acid | A | 3BQR | 0.71 | ![]() |
CP7![]() | 6-ETHYL-5-PHENYLPYRIMIDINE-2,4- DIAMINE | A | 2BLC | 0.71 | ![]() |
CP7![]() | 6-ETHYL-5-PHENYLPYRIMIDINE-2,4- DIAMINE | A | 2BLB | 0.71 | ![]() |
1SM![]() | METHYL 2-[({[(4,6-DIMETHYLPYRIMIDIN- 2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE | A,B | 1T9C | 0.82 | ![]() |
1SM![]() | METHYL 2-[({[(4,6-DIMETHYLPYRIMIDIN- 2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE | A | 1YI0 | 0.82 | ![]() |
APT![]() | 2-AMINO-6-[(4-CARBOXY-PHENYLAMINO)- METHYL]-4-HYDROXY-PTERIDIN-1-IUM | A,B | 1QCJ | 0.7 | ![]() |
AT6![]() | N-[2-(6-AMINO-4-METHYLPYRIDIN-2- YL)ETHYL]-4-CYANOBENZAMIDE | A,B | 3E68 | 0.72 | ![]() |
859![]() | 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN- 4-YL}AMINO)BENZAMIDE | A,B | 2NO3 | 0.76 | ![]() |
24X![]() | H,L | 2EC9 | 0.7 | ![]() | |
1IQ![]() | 2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5- DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE- 3-CARBOXYLIC ACID | A | 1Z8N | 0.74 | ![]() |
2SM![]() | methyl 2-{[(4-methylpyrimidin-2- yl)carbamoyl]sulfamoyl}benzoate | A | 3EA4 | 0.78 | ![]() |
977![]() | 2-AMINO-5-BROMO-6-PHENYLPYRIMIDIN- 4-OL | A | 1RSI | 0.71 | ![]() |
78P![]() | (2R)-2-(7-carbamoyl-1H-benzimidazol- 2-yl)-2-methylpyrrolidinium | A | 2RD6 | 0.71 | ![]() |
A45![]() | 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5- D]PYRIMIDIN-2-YL)-BENZOIC ACID | A | 1RRI | 0.74 | ![]() |
BZC![]() | A | 1EFY | 0.72 | ![]() | |
DOT![]() | 3'ANTHRANILOYL-2'-DEOXY-ADENOSINE- 5'-TRIPHOSPHATE | A,B,C,D,E,F | 1LVC | 0.71 | ![]() |
CIE![]() | 2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER | A,B | 1N0H | 0.71 | ![]() |
CIE![]() | 2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER | A | 1YBH | 0.71 | ![]() |
3B4![]() | 2-(cyclohexylamino)benzoic acid | A,B | 3B4P | 0.7 | ![]() |
BGU![]() | 2,6-diamino-1,7-dihydro-8H-imidazo[4,5- g]quinazolin-8-one | A | 2Z7K | 0.71 | ![]() |