Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02095661
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 |
I40![]() | 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE | A | 1QON | 0.72 | ![]() |
PRL![]() | PROFLAVIN | H,I | 1BCU | 0.75 | ![]() |
PRL![]() | PROFLAVIN | A,B,D,E | 1QVT | 0.75 | ![]() |
PRL![]() | PROFLAVIN | A,B | 2KD4 | 0.75 | ![]() |
PRL![]() | PROFLAVIN | A | 1QVU | 0.75 | ![]() |
MI2![]() | 2-(2-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G8T | 0.71 | ![]() |
THA![]() | TACRINE | A,B | 2AOW | 0.76 | ![]() |
THA![]() | TACRINE | A,B,C,D,E,F | 1MX1 | 0.76 | ![]() |
THA![]() | TACRINE | A,B | 2AOX | 0.76 | ![]() |
THA![]() | TACRINE | A | 1ACJ | 0.76 | ![]() |
22M![]() | 2-(2-METHYLPHENYL)-1H-INDOLE-6- CARBOXIMIDAMIDE | A | 2G5V | 0.71 | ![]() |
MQ0![]() | (3-AMINOMETHYL-CINNOLIN-4-YL)-(3,3- DIPHENYL-ALLYLIDENE)-AMINE | A,B,C | 3STD | 0.71 | ![]() |
LIG![]() | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2- .C.]PYRAZOLE | P | 1JVP | 0.73 | ![]() |
335![]() | [4-(2-(1H-1,2,3-BENZOTRIAZOL-1- YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}- 2-PHENYLPROPYL)PHENYL](DIFLUORO)METHYLPHOSPHONIC ACID | A | 1Q6J | 0.74 | ![]() |
213![]() | A,B | 1Q6P | 0.71 | ![]() | |
CEL![]() | 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)- 1H-PYRAZOL-1-YL]BENZENESULFONAMIDE | A | 1OQ5 | 0.84 | ![]() |
A8N![]() | N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)- 1,8-DIAMINOOCTANE | A | 1UT6 | 0.71 | ![]() |
23M![]() | 2-(3-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G5N | 0.71 | ![]() |
5B2![]() | 5-phenyl-1H-indazol-3-amine | A | 3E63 | 0.72 | ![]() |
P83![]() | 1-(9-ethyl-9H-carbazol-3-yl)-N- methylmethanamine | A,B | 2VUK | 0.7 | ![]() |
RKA![]() | N,N'-(1H-PYRROLE-2,5-DIYLDI-4,1- PHENYLENE)DIBENZENECARBOXIMIDAMIDE | A | 2GYX | 0.7 | ![]() |
1AU![]() | 1-[1-(3-aminophenyl)-3-tert-butyl- 1H-pyrazol-5-yl]-3-naphthalen-1- ylurea | A | 3F3T | 0.72 | ![]() |
PY1![]() | 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4- YL)QUINOLINE | A | 1PY5 | 0.72 | ![]() |
LL1![]() | 3-pyridin-4-yl-1H-indazole | A | 3DNE | 0.74 | ![]() |
9CA![]() | 9H-CARBAZOLE | A,B,C,D,E,F | 2DE7 | 0.73 | ![]() |
UN3![]() | (2-METHYL-5-PHENYL-2H-PYRAZOL-3- YL)-SULFAMIC ACID | A | 2F6W | 0.71 | ![]() |
580![]() | 3-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN- 2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2- B]PYRAZOLE | A | 1RW8 | 0.8 | ![]() |
GG5![]() | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL- 4-YL]PYRIDINE | A | 3HVC | 0.77 | ![]() |
2MI![]() | 2-METHYL-1H-INDOLE | A | 2PIO | 0.71 | ![]() |
760![]() | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.73 | ![]() |
S58![]() | 1-PHENYLSULFONAMIDE-3-TRIFLUOROMETHYL- 5-PARABROMOPHENYLPYRAZOLE | A,B,C,D | 1CX2 | 0.79 | ![]() |
S58![]() | 1-PHENYLSULFONAMIDE-3-TRIFLUOROMETHYL- 5-PARABROMOPHENYLPYRAZOLE | A,B | 6COX | 0.79 | ![]() |
CVI![]() | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.7 | ![]() |
1AW![]() | 1-[1-(3-aminophenyl)-3-tert-butyl- 1H-pyrazol-5-yl]-3-phenylurea | A,B | 3F3U | 0.72 | ![]() |
P27![]() | {[2-(1H-1,2,3-BENZOTRIAZOL-1-YL)- 2-(3,4-DIFLUOROPHENYL)PROPANE-1,3- DIYL]BIS[4,1-PHENYLENE(DIFLUOROMETHYLENE)]}BIS(PHOSPHONIC ACID) | A | 1Q6M | 0.73 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BQZ | 0.7 | ![]() |
MGR![]() | MALACHITE GREEN | A | 1Q8N | 0.7 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BR0 | 0.7 | ![]() |
MGR![]() | MALACHITE GREEN | A,D,E | 3BTL | 0.7 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 3BTC | 0.7 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 1JUP | 0.7 | ![]() |
EI1![]() | 3-ETHYL-2-(4-HYDROXYPHENYL)-2H- INDAZOL-5-OL | A,B | 2QAB | 0.71 | ![]() |
DAP![]() | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE | A | 1D30 | 0.71 | ![]() |
DAP![]() | 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE | A | 432D | 0.71 | ![]() |