Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03537163
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 |
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 | 0.71 | |
IMG | 1,4-DIDEOXY-1,4-IMINO-1-(S)-(9- DEAZAGUANIN-9-YL)-D-RIBITOL | A,B | 1DQP | 0.72 | |
IMG | 1,4-DIDEOXY-1,4-IMINO-1-(S)-(9- DEAZAGUANIN-9-YL)-D-RIBITOL | A | 1B8N | 0.72 | |
DMY | DISTAMYCIN A | A | 217D | 0.78 | |
DMY | DISTAMYCIN A | A | 1K2Z | 0.78 | |
DMY | DISTAMYCIN A | A,B,E,F | 2JT7 | 0.78 | |
DMY | DISTAMYCIN A | A,B | 267D | 0.78 | |
DMY | DISTAMYCIN A | A | 306D | 0.78 | |
DMY | DISTAMYCIN A | A | 304D | 0.78 | |
DMY | DISTAMYCIN A | A | 305D | 0.78 | |
DMY | DISTAMYCIN A | A | 1JUX | 0.78 | |
DMY | DISTAMYCIN A | A | 2DND | 0.78 | |
DMY | DISTAMYCIN A | A,B,C,D | 378D | 0.78 | |
DMY | DISTAMYCIN A | B | 1JTL | 0.78 | |
DMY | DISTAMYCIN A | A | 159D | 0.78 | |
DMY | DISTAMYCIN A | A | 216D | 0.78 | |
ILT | MONOIMIDAZOLE LEXITROPSIN | A | 1LEY | 0.76 | |
ILT | MONOIMIDAZOLE LEXITROPSIN | B | 1LEX | 0.76 | |
IMU | PHOSPHORIC ACID MONO-[5-(2-AMINO- 4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2- D]PYRIMIDIN-7-YL)-3,4-DIHYDROXY- PYRROLIDIN-2-YLMETHYL] ESTER | A,B,C,D | 1BZY | 0.7 | |
IMU | PHOSPHORIC ACID MONO-[5-(2-AMINO- 4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2- D]PYRIMIDIN-7-YL)-3,4-DIHYDROXY- PYRROLIDIN-2-YLMETHYL] ESTER | A,B | 1DQN | 0.7 | |
9DG | 9-DEAZAGUANINE | A,B,C,D,E | 1Q2S | 0.76 | |
9DG | 9-DEAZAGUANINE | A | 1IL4 | 0.76 | |
9DG | 9-DEAZAGUANINE | A,C | 1FSG | 0.76 | |
9DG | 9-DEAZAGUANINE | A,B,C,D | 1Q2R | 0.76 | |
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 | |
9HX | 9-DEAZAHYPOXANTHINE | A,B,C | 1I80 | 0.76 | |
IIP | IMIDAZOLE-PYRROLE POLYAMIDE | A,B | 365D | 0.72 | |
PYB | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | A,D,E,G,I,J | 1S32 | 0.76 | |
PYB | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | D,I,J | 1M18 | 0.76 | |
PYB | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | E,I,J | 1M1A | 0.76 | |
PYB | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | E,I,J | 1M19 | 0.76 | |
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 | |
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 | 0.72 | |
HP1 | IMIDAZOLE-PYRROLE-HYDROXYPYRROLE POLYAMIDE | A,B | 407D | 0.73 | |
IRP | (1S)-1(9-DEAZAHYPOXANTHIN-9YL)1,4- DIDEOXY-1,4-IMINO-D-RIBITOL-5-PHOSPHATE | A,B,C,D | 1CJB | 0.7 | |
DBQ | DEBROMOHYMENIALDISINE | A | 2C3J | 0.74 | |
DBQ | DEBROMOHYMENIALDISINE | A,B | 1U4D | 0.74 | |
DBQ | DEBROMOHYMENIALDISINE | A | 2CN8 | 0.74 | |
DBQ | DEBROMOHYMENIALDISINE | A | 1Z57 | 0.74 | |
BC3 | 2-amino-7-(pyridin-3-ylmethyl)- 3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin- 4-one | A,B,C | 3DJF | 0.7 | |
5ZA | (5Z)-2-[(1S,2R)-1-AMINO-2-HYDROXYPROPYL]- 5-[(4-AMINO-1H-INDOL-3-YL)METHYLENE]- 3-(2-HYDROXYETHYL)-3,5-DIHYDRO- 4H-IMIDAZOL-4-ONE | A | 1OXF | 0.74 | |
NYC | [(4E)-2-[(1R,2S)-1-AMINO-2-HYDROXYPROPYL]- 4-(1H-INDOL-3-YLMETHYLENE)-5-OXO- 4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID | A | 2Q57 | 0.73 | |
NYC | [(4E)-2-[(1R,2S)-1-AMINO-2-HYDROXYPROPYL]- 4-(1H-INDOL-3-YLMETHYLENE)-5-OXO- 4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID | A | 1OXE | 0.73 | |
NYC | [(4E)-2-[(1R,2S)-1-AMINO-2-HYDROXYPROPYL]- 4-(1H-INDOL-3-YLMETHYLENE)-5-OXO- 4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID | A | 1OXD | 0.73 | |
CRF | [2-(1-AMINO-2-HYDROXY-PROPYL)-4- (1H-INDOL-3-YLMETHYLENE)-5-OXO- 4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETALDEHYDE | A | 1CV7 | 0.74 | |
IPY | IMIDAZOLE-PYRROLE POLYAMIDE | A,B | 408D | 0.72 | |
IPY | IMIDAZOLE-PYRROLE POLYAMIDE | A,B | 1CVY | 0.72 |