Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02233276
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 |
553 | (7S)-2-(2-aminopyrimidin-4-yl)- 7-(2-fluoroethyl)-1,5,6,7-tetrahydro- 4H-pyrrolo[3,2-c]pyridin-4-one | A,B | 3DU8 | 0.74 | |
F10 | 2-[2-(2-FLUOROPHENYL)PYRIDIN-4- YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2- C]PYRIDIN-4-ONE | X | 2P3G | 0.78 | |
HLO | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEY | 0.71 | |
HLO | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEZ | 0.71 | |
PQ0 | 2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3- D]PYRIMIDINE-5-CARBONITRILE | A | 1P0B | 0.71 | |
PQ0 | 2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3- D]PYRIMIDINE-5-CARBONITRILE | A | 3GCA | 0.71 | |
PQ0 | 2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3- D]PYRIMIDINE-5-CARBONITRILE | A | 2PWV | 0.71 | |
PQ0 | 2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3- D]PYRIMIDINE-5-CARBONITRILE | A | 2QII | 0.71 | |
PQ0 | 2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3- D]PYRIMIDINE-5-CARBONITRILE | A,B | 1IT8 | 0.71 | |
39Z | 5-HYDROXY-3-[(1R)-1-(1H-PYRROL- 2-YL)ETHYL]-2H-INDOL-2-ONE | A | 2PE0 | 0.71 | |
K27 | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.72 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B,C,D | 1W6F | 0.75 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2V2E | 0.75 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | X | 2VCF | 0.75 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCS | 0.75 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCN | 0.75 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B | 1XR3 | 0.75 | |
PYC | PYRROLE-2-CARBOXYLATE | A | 1W62 | 0.72 | |
PYC | PYRROLE-2-CARBOXYLATE | A,B | 1L9D | 0.72 | |
PYC | PYRROLE-2-CARBOXYLATE | A,B | 2CWH | 0.72 | |
PYC | PYRROLE-2-CARBOXYLATE | A,B | 1W61 | 0.72 | |
PYC | PYRROLE-2-CARBOXYLATE | A,B | 1ELI | 0.72 | |
PRF | 7-DEAZA-7-AMINOMETHYL-GUANINE | A | 2NQZ | 0.73 | |
PRF | 7-DEAZA-7-AMINOMETHYL-GUANINE | A | 2Z1X | 0.73 | |
PRF | 7-DEAZA-7-AMINOMETHYL-GUANINE | A,B,C | 3FU2 | 0.73 | |
PRF | 7-DEAZA-7-AMINOMETHYL-GUANINE | A | 3FU4 | 0.73 | |
PRF | 7-DEAZA-7-AMINOMETHYL-GUANINE | A | 1PXG | 0.73 | |
PRF | 7-DEAZA-7-AMINOMETHYL-GUANINE | A | 3BLD | 0.73 | |
PRF | 7-DEAZA-7-AMINOMETHYL-GUANINE | A | 1OZQ | 0.73 | |
PRF | 7-DEAZA-7-AMINOMETHYL-GUANINE | A | 2KFC | 0.73 | |
PRF | 7-DEAZA-7-AMINOMETHYL-GUANINE | A | 1EFZ | 0.73 | |
PRF | 7-DEAZA-7-AMINOMETHYL-GUANINE | A | 1P0E | 0.73 | |
DX6 | 2-amino-5-(2-phenylethyl)-3,7-dihydro- 4H-pyrrolo[2,3-d]pyrimidin-4-one | A,B,C,D | 3BMH | 0.78 | |
P4O | 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)- 1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2- C]PYRIDIN-4-ONE | A | 2JBO | 0.74 | |
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 | 0.74 | |
BC3 | 2-amino-7-(pyridin-3-ylmethyl)- 3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin- 4-one | A,B,C | 3DJF | 0.8 | |
9HX | 9-DEAZAHYPOXANTHINE | A,B,C | 1I80 | 0.83 | |
MIL | MILRINONE | A,B | 1TLM | 0.73 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B,D,H | 2IUQ | 0.7 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B | 2FPB | 0.7 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | D,H | 2AGW | 0.7 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A | 2PQL | 0.7 | |
464 | 3-[5-({5-[(AMINOCARBONYL)AMINO]- 2-OXO-2H-INDOL-3-YL}METHYL)-1H- PYRROL-3-YL]-N-(2-PIPERIDIN-1-YLETHYL)BENZAMIDE | A | 2PE2 | 0.75 | |
HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHQ | 0.72 | |
HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHP | 0.72 | |
HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2GYU | 0.72 | |
BRT | 5-BROMONICOTINAMIDE | A,B | 1GXZ | 0.7 | |
NCA | NICOTINAMIDE | A,B | 2E5D | 0.77 | |
NCA | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.77 | |
NCA | NICOTINAMIDE | A,B | 1DMA | 0.77 | |
NCA | NICOTINAMIDE | A,B | 1ISM | 0.77 | |
NCA | NICOTINAMIDE | A,B | 1YC5 | 0.77 | |
NCA | NICOTINAMIDE | A | 2ZB7 | 0.77 | |
NCA | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.77 | |
NCA | NICOTINAMIDE | A,B | 2QQG | 0.77 | |
NCA | NICOTINAMIDE | A | 2OTV | 0.77 | |
NCA | NICOTINAMIDE | A | 2QHF | 0.77 | |
NCA | NICOTINAMIDE | A,B,C,D | 2C8A | 0.77 | |
NCA | NICOTINAMIDE | A,B | 2HJH | 0.77 | |
NCA | NICOTINAMIDE | A | 2A15 | 0.77 | |
NCA | NICOTINAMIDE | A | 2R6V | 0.77 | |
NCA | NICOTINAMIDE | A,B | 1ISI | 0.77 | |
NCA | NICOTINAMIDE | A,D,E | 2R9J | 0.77 | |
NCA | NICOTINAMIDE | A | 2H4J | 0.77 | |
NCA | NICOTINAMIDE | A,B | 2OD9 | 0.77 | |
NCA | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.77 | |
NCA | NICOTINAMIDE | A,B | 3DZG | 0.77 | |
NCA | NICOTINAMIDE | A | 1OJU | 0.77 | |
C8C | 2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin- 4(3H)-one | A | 2VA5 | 0.77 | |
DBQ | DEBROMOHYMENIALDISINE | A | 2C3J | 0.76 | |
DBQ | DEBROMOHYMENIALDISINE | A,B | 1U4D | 0.76 | |
DBQ | DEBROMOHYMENIALDISINE | A | 2CN8 | 0.76 | |
DBQ | DEBROMOHYMENIALDISINE | A | 1Z57 | 0.76 | |
517 | 1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2- YL)ETHYL]-2H-INDOL-5-YL}UREA | A | 2PE1 | 0.8 | |
I3A | 1H-INDOLE-3-CARBALDEHYDE | A,B,C,D | 3BWL | 0.77 | |
I3A | 1H-INDOLE-3-CARBALDEHYDE | A,B | 2OU3 | 0.77 | |
TSR | 2-(1H-INDOL-3-YL)ACETAMIDE | D,H | 2OJY | 0.74 | |
TSR | 2-(1H-INDOL-3-YL)ACETAMIDE | A,D,H | 2OIZ | 0.74 | |
B49 | N-[2-(diethylamino)ethyl]-5-[(Z)- (5-fluoro-2-oxo-1,2-dihydro-3H- indol-3-ylidene)methyl]-2,4-dimethyl- 1H-pyrrole-3-carboxamide | A,B | 3G0F | 0.71 | |
B49 | N-[2-(diethylamino)ethyl]-5-[(Z)- (5-fluoro-2-oxo-1,2-dihydro-3H- indol-3-ylidene)methyl]-2,4-dimethyl- 1H-pyrrole-3-carboxamide | A | 3G0E | 0.71 | |
LTN | L-TRYPTOPHANAMIDE | A | 1MAU | 0.72 | |
LTN | L-TRYPTOPHANAMIDE | A,B | 2QUI | 0.72 | |
PBO | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 0.7 | |
DX7 | 2-amino-4-oxo-6-phenyl-4,7-dihydro- 3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | A,B,C,D | 3BMJ | 0.72 | |
279 | N-ethyl-4-{[5-(methoxycarbamoyl)- 2-methylphenyl]amino}-5-methylpyrrolo[2,1- f][1,2,4]triazine-6-carboxamide | A | 2RG5 | 0.7 | |
AGE | (2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)- 1H-pyrrol-2-yl]prop-2-enamide | A,B,C | 3F07 | 0.75 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGY | 0.7 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AH0 | 0.7 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGX | 0.7 | |
LYD | 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO- 3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)- ETHYL]-BENZOYLAMINO}-3-METHYL-BUTYRIC ACID | A,B | 1JUT | 0.7 | |
344 | 6-AMINO-3,7-DIHYDRO-IMIDAZO[4,5- G]QUINAZOLIN-8-ONE | A | 2BBF | 0.7 | |
9DG | 9-DEAZAGUANINE | A,B,C,D,E | 1Q2S | 0.85 | |
9DG | 9-DEAZAGUANINE | A | 1IL4 | 0.85 | |
9DG | 9-DEAZAGUANINE | A,C | 1FSG | 0.85 | |
9DG | 9-DEAZAGUANINE | A,B,C,D | 1Q2R | 0.85 | |
IND | INDOLE | A | 1L4H | 0.71 | |
IND | INDOLE | A,B,G | 1O7N | 0.71 | |
IND | INDOLE | A | 185L | 0.71 | |
IND | INDOLE | A,B | 1EG9 | 0.71 | |
IND | INDOLE | A,B | 1UUV | 0.71 | |
IND | INDOLE | A,C,E | 2B24 | 0.71 | |
IND | INDOLE | A,B,C,D,E,F | 2P85 | 0.71 |