Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01243728
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 |
RKA | N,N'-(1H-PYRROLE-2,5-DIYLDI-4,1- PHENYLENE)DIBENZENECARBOXIMIDAMIDE | A | 2GYX | 0.73 |  |
23M | 2-(3-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G5N | 0.8 | |
6IP | 6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN- 2-AMINE | A | 2OHP | 0.71 | |
CRZ | 4-(9H-CARBAZOL-9-YL)BUTANOIC ACID | A | 1TOW | 0.74 | |
3LP | 1-(CYCLOHEXYLAMINO)-3-(6-METHYL- 3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN- 2-OL | A,B,C,D,E,F | 2P6G | 0.71 | |
IPL | INDOLE-3-PROPANOL PHOSPHATE | A,B | 1BEU | 0.72 | |
| IPL | INDOLE-3-PROPANOL PHOSPHATE | A,B | 1QOP | 0.72 | |
| IPL | INDOLE-3-PROPANOL PHOSPHATE | A,B | 2TRS | 0.72 | |
| IPL | INDOLE-3-PROPANOL PHOSPHATE | A | 1WXJ | 0.72 | |
| IPL | INDOLE-3-PROPANOL PHOSPHATE | A,B | 1KFC | 0.72 | |
SBR | (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)- 4-SULFAMOYL-BENZAMIDE | A | 1IF7 | 0.71 | |
TUO | 2-(hydrazinocarbonyl)-3-phenyl- 1H-indole-5-sulfonamide | A | 3B4F | 0.78 | |
2AN | 1-ANILINO-8-NAPHTHALENE SULFONATE | A,B | 3CFN | 0.72 | |
| 2AN | 1-ANILINO-8-NAPHTHALENE SULFONATE | A,B | 2ANS | 0.72 | |
| 2AN | 1-ANILINO-8-NAPHTHALENE SULFONATE | A,B | 1OW4 | 0.72 | |
| 2AN | 1-ANILINO-8-NAPHTHALENE SULFONATE | A | 1EYN | 0.72 | |
| 2AN | 1-ANILINO-8-NAPHTHALENE SULFONATE | A,B | 1TXC | 0.72 | |
3IB | 3-INDOLEBUTYRIC ACID | A,B | 2AY6 | 0.71 | |
| 3IB | 3-INDOLEBUTYRIC ACID | A,B,C,E | 2GJ6 | 0.71 | |
MI2 | 2-(2-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G8T | 0.8 | |
P83 | 1-(9-ethyl-9H-carbazol-3-yl)-N- methylmethanamine | A,B | 2VUK | 0.78 | |
696 | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | A | 1O3G | 0.7 | |
| 696 | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | A | 1O3E | 0.7 | |
| 696 | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | H,I | 1O2G | 0.7 | |
| 696 | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | B | 1O5A | 0.7 | |
| 696 | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | A | 1O3F | 0.7 | |
047 | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)- 1H-INDOL-3-YL]METHYL}METHANAMINE | A,B | 2PJL | 0.73 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B,D,H | 2IUQ | 0.77 | |
| TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B | 2FPB | 0.77 | |
| TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | D,H | 2AGW | 0.77 | |
| TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A | 2PQL | 0.77 | |
124 | 2-(2-HYDROXY-PHENYL)-1H-INDOLE- 5-CARBOXAMIDINE | A | 1GI6 | 0.7 | |
BHT | N-[4-(BIS{4-[(3-SULFOPHENYL)AMINO]PHENYL}METHYLENE)CYCLOHEXA- 2,5-DIEN-1-YLIDENE]-4-SULFOBENZENAMINIUM | A | 2ZJO | 0.71 | |
TSC | (1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL | D,H | 2AH0 | 0.71 | |
| TSC | (1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL | D,H | 2AGZ | 0.71 | |
SFP | 5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)- 21H,23H-PORPHINE | A,B,C,D | 1RIR | 0.78 | |
| SFP | 5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)- 21H,23H-PORPHINE | A | 1PXD | 0.78 | |
| SFP | 5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)- 21H,23H-PORPHINE | A,B,C,D | 1RIT | 0.78 | |
| SFP | 5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)- 21H,23H-PORPHINE | P | 1JN2 | 0.78 | |
22M | 2-(2-METHYLPHENYL)-1H-INDOLE-6- CARBOXIMIDAMIDE | A | 2G5V | 0.8 | |
PDS | 3-{1-[3-(DIMETHYLAMINO)PROPYL]- 2-METHYL-1H-INDOL-3-YL}-4-(2-METHYL- 1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE | A,B | 2I0E | 0.71 | |
LTN | L-TRYPTOPHANAMIDE | A | 1MAU | 0.72 | |
| LTN | L-TRYPTOPHANAMIDE | A,B | 2QUI | 0.72 | |
DAP | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE | A | 1D30 | 0.8 | |
| DAP | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE | A | 432D | 0.8 | |
MHC | 3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO- B-CARBOLIN-2-YL)-PROPAN-1-ONE | A | 1NBP | 0.76 | |
FIP | 5-FLUOROINDOLE PROPANOL PHOSPHATE | A,B | 1FUY | 0.7 | |
| FIP | 5-FLUOROINDOLE PROPANOL PHOSPHATE | A,B | 1A50 | 0.7 | |
| FIP | 5-FLUOROINDOLE PROPANOL PHOSPHATE | A,B | 1A5S | 0.7 | |
L12 | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE | A | 1W84 | 0.77 | |
9CA | 9H-CARBAZOLE | A,B,C,D,E,F | 2DE7 | 0.87 | |
TSR | 2-(1H-INDOL-3-YL)ACETAMIDE | D,H | 2OJY | 0.72 | |
| TSR | 2-(1H-INDOL-3-YL)ACETAMIDE | A,D,H | 2OIZ | 0.72 | |
CEL | 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)- 1H-PYRAZOL-1-YL]BENZENESULFONAMIDE | A | 1OQ5 | 0.71 | |
DPS | 3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL- PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]- PROPIONIC ACID | A | 1CAQ | 0.71 | |
| DPS | 3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL- PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]- PROPIONIC ACID | A | 1CIZ | 0.71 | |
K88 | (3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7- TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)- 2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE | A,D | 2WEL | 0.76 | |
ATU | 9-NITRO-5,12-DIHYDRO-7H-BENZO[2,3]AZEPINO[4,5- B]INDOL-6-ONE | A,B | 1Q3W | 0.71 | |
TPL | TRYPTOPHANOL | A | 1EE7 | 0.71 | |
6MR | N-[(4'-IODOBIPHENYL-4-YL)SULFONYL]- D-TRYPTOPHAN | A,B | 2OW0 | 0.71 | |
SBS | (S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)- 4-SULFAMOYL-BENZAMIDE | A | 1IF8 | 0.71 | |
SBB | N-[2-(1H-INDOL-5-YL)-BUTYL]-4-SULFAMOYL- BENZAMIDE | A | 1IF9 | 0.74 | |
2MI | 2-METHYL-1H-INDOLE | A | 2PIO | 0.82 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGY | 0.77 | |
| TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AH0 | 0.77 | |
| TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGX | 0.77 | |
AM8 | N-(3-chlorophenyl)-N-methyl-2-oxo- 3-[(3,4,5-trimethyl-1H-pyrrol-2- yl)methyl]-2H-indole-5-sulfonamide | A | 2RFS | 0.72 | |
IND | INDOLE | A | 1L4H | 0.76 | |
| IND | INDOLE | A,B,G | 1O7N | 0.76 | |
| IND | INDOLE | A | 185L | 0.76 | |
| IND | INDOLE | A,B | 1EG9 | 0.76 | |
| IND | INDOLE | A,B | 1UUV | 0.76 | |
| IND | INDOLE | A,C,E | 2B24 | 0.76 | |
| IND | INDOLE | A,B,C,D,E,F | 2P85 | 0.76 | |