Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02315981
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 |
APY![]() | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.74 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.74 | ![]() |
P83![]() | 1-(9-ethyl-9H-carbazol-3-yl)-N- methylmethanamine | A,B | 2VUK | 0.75 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 1JT6 | 0.71 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BR2 | 0.71 | ![]() |
DEQ![]() | DEQUALINIUM | A | 1OYD | 0.71 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BT9 | 0.71 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BTJ | 0.71 | ![]() |
DEQ![]() | DEQUALINIUM | A,B,D,E | 3BR1 | 0.71 | ![]() |
MIB![]() | (3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT- 3-EN-2-ONE | A | 1ZS5 | 0.71 | ![]() |
2MI![]() | 2-METHYL-1H-INDOLE | A | 2PIO | 0.72 | ![]() |
278![]() | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.82 | ![]() |
C08![]() | difluoro(5-{2-[(5-octyl-1H-pyrrol- 2-yl-kappaN)methylidene]-2H-pyrrol- 5-yl-kappaN}pentanoato)boron | A,B | 2ZK6 | 0.71 | ![]() |
NPM![]() | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.71 | ![]() |
286![]() | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.79 | ![]() |
580![]() | 3-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN- 2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2- B]PYRAZOLE | A | 1RW8 | 0.72 | ![]() |
HBP![]() | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.76 | ![]() |
HBP![]() | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.76 | ![]() |
TSS![]() | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B,D,H | 2IUQ | 0.7 | ![]() |
TSS![]() | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B | 2FPB | 0.7 | ![]() |
TSS![]() | 2-(1H-INDOL-3-YL)ETHANAMINE | D,H | 2AGW | 0.7 | ![]() |
TSS![]() | 2-(1H-INDOL-3-YL)ETHANAMINE | A | 2PQL | 0.7 | ![]() |
275![]() | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.74 | ![]() |
047![]() | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)- 1H-INDOL-3-YL]METHYL}METHANAMINE | A,B | 2PJL | 0.71 | ![]() |
SB9![]() | HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE | P | 2AIE | 0.74 | ![]() |
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 | 0.74 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.74 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.74 | ![]() |
AUP![]() | 2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7- TETRAHYDRO-2H-ISOPHOSPHINDOL-1- YL)PYRIDINE | A | 2AAQ | 0.71 | ![]() |
251![]() | N-[amino(imino)methyl]-2-(2,5-diphenyl- 1H-pyrrol-1-yl)acetamide | A | 2QU2 | 0.71 | ![]() |
TSH![]() | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGY | 0.7 | ![]() |
TSH![]() | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AH0 | 0.7 | ![]() |
TSH![]() | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGX | 0.7 | ![]() |
PIU![]() | 1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}- 2,4,6-TRIMETHYLPYRIDINIUM | A | 1ZE8 | 0.71 | ![]() |
POR![]() | PORPHYRIN FE(III) | A | 2CMM | 0.71 | ![]() |