Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02095757
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 |
4AP | 4-AMINOPYRIDINE | A | 1AEG | 0.71 | |
DZO | 3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5- a]pyrimidin-5-amine | A | 3E7V | 0.71 | |
LIG | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2- .C.]PYRAZOLE | P | 1JVP | 0.75 | |
928 | 5-amino-1-(4-chlorophenyl)-1H-pyrazole- 4-carbonitrile | A | 3EJ2 | 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 | 0.79 | |
NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.79 | |
NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.79 | |
EPJ | EPIBATIDINE | A,B,C,D,E | 2BYQ | 0.79 | |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.78 | |
3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.78 | |
LL1 | 3-pyridin-4-yl-1H-indazole | A | 3DNE | 0.75 | |
XMK | 1-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]- 4-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINE | A | 1IQM | 0.71 | |
PY1 | 4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4- YL)QUINOLINE | A | 1PY5 | 0.72 | |
580 | 3-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN- 2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2- B]PYRAZOLE | A | 1RW8 | 0.72 | |
PY2 | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.75 | |
TH4 | {(2Z)-3-[(6-chloropyridin-3-yl)methyl]- 1,3-thiazolidin-2-ylidene}cyanamide | A,B,C,D,E | 3C84 | 0.81 | |
LG4 | 5-METHYLPYRIDIN-2-AMINE | A | 2EUP | 0.72 | |
SC8 | 5-(2,3-dichlorophenyl)-N-(pyridin- 4-ylmethyl)pyrazolo[1,5-a]pyrimidin- 7-amine | A | 2R3F | 0.75 | |
3SC | 5-(2,3-dichlorophenyl)-N-(pyridin- 4-ylmethyl)-3-thiocyanatopyrazolo[1,5- a]pyrimidin-7-amine | A | 2R3P | 0.7 | |
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 | 0.72 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.75 | |
IM4 | (2E)-1-[(6-chloropyridin-3-yl)methyl]- N-nitroimidazolidin-2-imine | A,C,D,E | 2ZJU | 0.79 | |
IM4 | (2E)-1-[(6-chloropyridin-3-yl)methyl]- N-nitroimidazolidin-2-imine | A,B,C,D | 3C79 | 0.79 | |
245 | 1-(2-chloropyridin-4-yl)-3-phenylurea | A | 2QKN | 0.74 | |
ISQ | ISOQUINOLINE | A | 1GDK | 0.72 | |
SCF | 5-(2-fluorophenyl)-N-(pyridin-4- ylmethyl)pyrazolo[1,5-a]pyrimidin- 7-amine | A | 2R3I | 0.7 | |
L02 | 4-[3-(4-CHLOROPHENYL)-1H-PYRAZOL- 5-YL]PIPERIDINE | B,I | 1WAY | 0.7 | |
CLQ | N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1- DIETHYL-PENTANE-1,4-DIAMINE | A | 1CET | 0.73 | |
GG5 | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL- 4-YL]PYRIDINE | A | 3HVC | 0.78 | |
246 | 1-benzyl-3-(2-chloropyridin-4-yl)urea | A | 2QPM | 0.76 | |
C4C | N-(4-chlorobenzyl)-N',N'-dimethyl- N-pyridin-2-ylethane-1,2-diamine | A | 2RA7 | 0.73 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.7 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.7 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.72 | |
OBI | 1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME | A,B | 2GYW | 0.71 | |
NTN | ISONICOTINAMIDINE | A | 7ADH | 0.75 | |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.71 | |
APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.71 |