Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02660020
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 |
047 | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)- 1H-INDOL-3-YL]METHYL}METHANAMINE | A,B | 2PJL | 0.78 | |
L12 | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE | A | 1W84 | 0.76 | |
2MI | 2-METHYL-1H-INDOLE | A | 2PIO | 0.78 | |
DCU | A,B | 1J07 | 0.7 | ||
P83 | 1-(9-ethyl-9H-carbazol-3-yl)-N- methylmethanamine | A,B | 2VUK | 0.85 | |
IND | INDOLE | A | 1L4H | 0.75 | |
IND | INDOLE | A,B,G | 1O7N | 0.75 | |
IND | INDOLE | A | 185L | 0.75 | |
IND | INDOLE | A,B | 1EG9 | 0.75 | |
IND | INDOLE | A,B | 1UUV | 0.75 | |
IND | INDOLE | A,C,E | 2B24 | 0.75 | |
IND | INDOLE | A,B,C,D,E,F | 2P85 | 0.75 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGY | 0.76 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AH0 | 0.76 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGX | 0.76 | |
ZAM | 3-[(ACETYL-METHYL-AMINO)-METHYL]- 4-AMINO-N-METHYL-N-(1-METHYL-1H- INDOL-2-YLMETHYL)-BENZAMIDE | A,B | 1LX6 | 0.71 | |
WSK | (2S)-1-(3,6-DIBROMO-9H-CARBAZOL- 9-YL)-3-(DIMETHYLAMINO)PROPAN-2- OL | A | 1T84 | 0.89 | |
BD4 | 6-(3-AMINOPROPYL)-4,9-DIMETHYLPYRROLO[3,4- C]CARBAZOLE-1,3(2H,6H)-DIONE | A | 1WVX | 0.7 | |
2IG | 6-ETHYL-5-[9-(3-METHOXYPROPYL)- 9H-CARBAZOL-2-YL]PYRIMIDINE-2,4- DIAMINE | A,B | 2G1O | 0.71 | |
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 | |
907 | 2-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-6-BROMO-4-METHYLBENZENOLATE | A | 1O3I | 0.72 | |
907 | 2-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-6-BROMO-4-METHYLBENZENOLATE | A | 1O3H | 0.72 | |
22M | 2-(2-METHYLPHENYL)-1H-INDOLE-6- CARBOXIMIDAMIDE | A | 2G5V | 0.77 | |
DEQ | DEQUALINIUM | A,B,D,E | 1JT6 | 0.7 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR2 | 0.7 | |
DEQ | DEQUALINIUM | A | 1OYD | 0.7 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BT9 | 0.7 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BTJ | 0.7 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR1 | 0.7 | |
THA | TACRINE | A,B | 2AOW | 0.7 | |
THA | TACRINE | A,B,C,D,E,F | 1MX1 | 0.7 | |
THA | TACRINE | A,B | 2AOX | 0.7 | |
THA | TACRINE | A | 1ACJ | 0.7 | |
TTR | 9-ACETYL-2,3,4,9-TETRAHYDRO-1H- CARBAZOL-1-ONE | A | 2D82 | 0.73 | |
PRM | 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]- 6-PHENYLPHENANTHRIDINIUM | A,B | 1N5R | 0.71 | |
MIB | (3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT- 3-EN-2-ONE | A | 1ZS5 | 0.78 | |
MI2 | 2-(2-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G8T | 0.77 | |
MHC | 3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO- B-CARBOLIN-2-YL)-PROPAN-1-ONE | A | 1NBP | 0.71 | |
CRZ | 4-(9H-CARBAZOL-9-YL)BUTANOIC ACID | A | 1TOW | 0.79 | |
9CA | 9H-CARBAZOLE | A,B,C,D,E,F | 2DE7 | 0.83 | |
3LP | 1-(CYCLOHEXYLAMINO)-3-(6-METHYL- 3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN- 2-OL | A,B,C,D,E,F | 2P6G | 0.74 | |
LG1 | 3,11-DIFLUORO-6,8,13-TRIMETHYL- 8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM | A,B,D | 1NZM | 0.73 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B,D,H | 2IUQ | 0.76 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B | 2FPB | 0.76 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | D,H | 2AGW | 0.76 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A | 2PQL | 0.76 | |
23M | 2-(3-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G5N | 0.77 | |
DAP | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE | A | 1D30 | 0.76 | |
DAP | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE | A | 432D | 0.76 |