Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02786228
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 |
GVG![]() | 3-METHYL-4-PHENYL-1H-PYRAZOLE | A | 2UW3 | 0.73 | ![]() |
L02![]() | 4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL- 5-YL]PIPERIDINE | B,I | 1WAY | 0.71 | ![]() |
5DE![]() | 1-(4-AMINOPHENYL)-3,5-DIMETHYL- 1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2E | 0.73 | ![]() |
PRL![]() | PROFLAVIN | H,I | 1BCU | 0.74 | ![]() |
PRL![]() | PROFLAVIN | A,B,D,E | 1QVT | 0.74 | ![]() |
PRL![]() | PROFLAVIN | A,B | 2KD4 | 0.74 | ![]() |
PRL![]() | PROFLAVIN | A | 1QVU | 0.74 | ![]() |
LIG![]() | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2- .C.]PYRAZOLE | P | 1JVP | 0.73 | ![]() |
S58![]() | 1-PHENYLSULFONAMIDE-3-TRIFLUOROMETHYL- 5-PARABROMOPHENYLPYRAZOLE | A,B,C,D | 1CX2 | 0.72 | ![]() |
S58![]() | 1-PHENYLSULFONAMIDE-3-TRIFLUOROMETHYL- 5-PARABROMOPHENYLPYRAZOLE | A,B | 6COX | 0.72 | ![]() |
A8N![]() | N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)- 1,8-DIAMINOOCTANE | A | 1UT6 | 0.71 | ![]() |
SM5![]() | (1E)-5-(1-piperidin-4-yl-3-pyridin- 4-yl-1H-pyrazol-4-yl)-2,3-dihydro- 1H-inden-1-one oxime | A,B | 3D4Q | 0.71 | ![]() |
CVI![]() | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.71 | ![]() |
23M![]() | 2-(3-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G5N | 0.71 | ![]() |
UN3![]() | (2-METHYL-5-PHENYL-2H-PYRAZOL-3- YL)-SULFAMIC ACID | A | 2F6W | 0.75 | ![]() |
CEL![]() | 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)- 1H-PYRAZOL-1-YL]BENZENESULFONAMIDE | A | 1OQ5 | 0.78 | ![]() |
PY1![]() | 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4- YL)QUINOLINE | A | 1PY5 | 0.72 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T | 1UW6 | 0.71 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.71 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.71 | ![]() |
2MI![]() | 2-METHYL-1H-INDOLE | A | 2PIO | 0.74 | ![]() |
3DE![]() | 3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE- 4-CARBOXYLIC ACID ETHYL ESTER | A,B | 1Y2C | 0.71 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BQZ | 0.71 | ![]() |
MGR![]() | MALACHITE GREEN | A | 1Q8N | 0.71 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BR0 | 0.71 | ![]() |
MGR![]() | MALACHITE GREEN | A,D,E | 3BTL | 0.71 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 3BTC | 0.71 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 1JUP | 0.71 | ![]() |
MI2![]() | 2-(2-METHYLPHENYL)-1H-INDOLE-5- CARBOXIMIDAMIDE | A | 2G8T | 0.7 | ![]() |
AS3![]() | 4-METHYL-6-PROPYLPYRIDIN-2-AMINE | A,B | 3E6N | 0.7 | ![]() |
LL1![]() | 3-pyridin-4-yl-1H-indazole | A | 3DNE | 0.76 | ![]() |
THA![]() | TACRINE | A,B | 2AOW | 0.77 | ![]() |
THA![]() | TACRINE | A,B,C,D,E,F | 1MX1 | 0.77 | ![]() |
THA![]() | TACRINE | A,B | 2AOX | 0.77 | ![]() |
THA![]() | TACRINE | A | 1ACJ | 0.77 | ![]() |
9CA![]() | 9H-CARBAZOLE | A,B,C,D,E,F | 2DE7 | 0.71 | ![]() |
MQ0![]() | (3-AMINOMETHYL-CINNOLIN-4-YL)-(3,3- DIPHENYL-ALLYLIDENE)-AMINE | A,B,C | 3STD | 0.7 | ![]() |
1AW![]() | 1-[1-(3-aminophenyl)-3-tert-butyl- 1H-pyrazol-5-yl]-3-phenylurea | A,B | 3F3U | 0.73 | ![]() |
I40![]() | 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE | A | 1QON | 0.71 | ![]() |
L15![]() | 2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE | A | 2UW4 | 0.71 | ![]() |
P83![]() | 1-(9-ethyl-9H-carbazol-3-yl)-N- methylmethanamine | A,B | 2VUK | 0.71 | ![]() |
LZ1![]() | 1H-indazole | A,B | 3E6I | 0.71 | ![]() |
LZ1![]() | 1H-indazole | A | 2VTA | 0.71 | ![]() |
1AU![]() | 1-[1-(3-aminophenyl)-3-tert-butyl- 1H-pyrazol-5-yl]-3-naphthalen-1- ylurea | A | 3F3T | 0.71 | ![]() |
760![]() | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.72 | ![]() |
580![]() | 3-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN- 2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2- B]PYRAZOLE | A | 1RW8 | 0.79 | ![]() |
GG5![]() | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL- 4-YL]PYRIDINE | A | 3HVC | 0.75 | ![]() |
5B2![]() | 5-phenyl-1H-indazol-3-amine | A | 3E63 | 0.71 | ![]() |
EI1![]() | 3-ETHYL-2-(4-HYDROXYPHENYL)-2H- INDAZOL-5-OL | A,B | 2QAB | 0.71 | ![]() |