Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01591797
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 |
AGE | (2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)- 1H-pyrrol-2-yl]prop-2-enamide | A,B,C | 3F07 | 0.71 | |
DZF | 5-DEAZAFOLIC ACID | A,B | 2DHF | 0.71 | |
DZF | 5-DEAZAFOLIC ACID | A,B | 1DYH | 0.71 | |
DZF | 5-DEAZAFOLIC ACID | A,B,C,D | 1CDE | 0.71 | |
SRS | 4-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.0(13,18)]NONADECA- 12(19),13(18),15,17-TETRAENE-10- CARBAMOYL)PENTA-METHYLSULFONEDIIMINE | A | 1MMR | 0.7 | |
KAW | N-{(5S)-4,4-dihydroxy-6-phenyl- 5-[(phenylcarbonyl)amino]hexanoyl}- L-tryptophan | A | 3BKL | 0.71 | |
162 | (2-{2-[(5-CARBAMIMIDOYL-1-METHYL- 1H-PYRROL-3-YLMETHYL)-CARBAMOYL]- PYRROL-1-YL} -1-CYCLOHEXYLMETHYL- 2-OXO-ETHYLAMINO)-ACETIC ACID | D,H | 1NZQ | 0.72 | |
737 | N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)- BUTYL]-2-{6-OXO-5-[(QUINOLIN-8- YLMETHYL)-AMINO]-2-M-TOLYL-6H-PYRIMIDIN- 1-YL}-ACETAMIDE | A | 1ZTL | 0.72 | |
163 | (2-{2-[(5-CARBAMIMIDOYL-1-METHYL- 1H-PYRROL-2-YLMETHYL)-CARBAMOYL]- PYRROL-1-YL}- 1-CYCLOHEXYLMETHYL- 2-OXO-ETHYLAMINO)-ACETIC ACID | D,H | 1O0D | 0.7 | |
LI2 | 3-FLUORO-5-MORPHOLIN-4-YL-N-[3- (2-PYRIDIN-4-YLETHYL)-1H-INDOL- 5-YL]BENZAMIDE | A | 1WBS | 0.71 | |
T42 | MORPHOLINO-DIPHENYLALANINE-METHOXYPROPYLBORONIC ACID | H,I | 1AI8 | 0.72 | |
F10 | 2-[2-(2-FLUOROPHENYL)PYRIDIN-4- YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2- C]PYRIDIN-4-ONE | X | 2P3G | 0.71 | |
SU1 | 3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL- 2-YL)METHYLENE]-2-INDOLINONE | A,B | 1FGI | 0.71 | |
LI3 | 3-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN- 4-YLBENZAMIDE | A | 1WBV | 0.73 | |
P4O | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)- 1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2- C]PYRIDIN-4-ONE | A | 2JBO | 0.71 | |
P4O | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)- 1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2- C]PYRIDIN-4-ONE | A,B,C,D,E,F, G,H,I,K,L | 2JBP | 0.71 | |
BC3 | 2-amino-7-(pyridin-3-ylmethyl)- 3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin- 4-one | A,B,C | 3DJF | 0.72 | |
AIQ | 2,6-DIAMINO-8-(1H-IMIDAZOL-2-YLSULFANYLMETHYL)- 3H-QUINAZOLINE-4-ONE | A | 1K4G | 0.7 | |
AIQ | 2,6-DIAMINO-8-(1H-IMIDAZOL-2-YLSULFANYLMETHYL)- 3H-QUINAZOLINE-4-ONE | A | 1Q63 | 0.7 | |
CMM | 2-[2-(1-CARBAMIMIDOYL-PIPERIDIN- 3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL- 1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER | A,B | 1M49 | 0.71 | |
MTI | 3,4-DIHYDROXY-2-[(METHYLSULFANYL)METHYL]- 5-(4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2- D]PYRIMIDIN-7-YL)PYRROLIDINIUM | A,B,C,D,E,F | 1Q1G | 0.75 | |
DBQ | DEBROMOHYMENIALDISINE | A | 2C3J | 0.7 | |
DBQ | DEBROMOHYMENIALDISINE | A,B | 1U4D | 0.7 | |
DBQ | DEBROMOHYMENIALDISINE | A | 2CN8 | 0.7 | |
DBQ | DEBROMOHYMENIALDISINE | A | 1Z57 | 0.7 | |
LIQ | N-{(1S)-2-({(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 3-[(3-ETHYLBENZYL)AMINO]-2-HYDROXYPROPYL}AMINO)- 2-OXO-1-[(PENTYLSULFONYL)METHYL]ETHYL}NICOTINAMIDE | A | 2HM1 | 0.7 |