Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03393705
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 |
286![]() | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.82 | ![]() |
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 | ![]() |
PIU![]() | 1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}- 2,4,6-TRIMETHYLPYRIDINIUM | A | 1ZE8 | 0.74 | ![]() |
PY2![]() | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.72 | ![]() |
2AQ![]() | QUINOLIN-2-AMINE | A | 2OHL | 0.7 | ![]() |
278![]() | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.71 | ![]() |
26D![]() | PYRIDINE-2,6-DIAMINE | A | 2ANZ | 0.72 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.77 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.77 | ![]() |
11X![]() | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.71 | ![]() |
C53![]() | 2-IMINO-5-(1-PYRIDIN-2-YL-METH- (E)-YLIDENE)-1,3-THIAZOLIDIN-4- ONE | A | 2V0D | 0.73 | ![]() |
SB9![]() | HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE | P | 2AIE | 0.81 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1EUB | 0.72 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1BM6 | 0.72 | ![]() |
D4G![]() | A,B,C,D | 2FDY | 0.72 | ![]() | |
JI2![]() | N-{(3S,4S)-4-[(6-aminopyridin-2- yl)methyl]pyrrolidin-3-yl}ethane- 1,2-diamine | A,B | 3B3N | 0.74 | ![]() |
JI2![]() | N-{(3S,4S)-4-[(6-aminopyridin-2- yl)methyl]pyrrolidin-3-yl}ethane- 1,2-diamine | A,B | 3DQR | 0.74 | ![]() |
1PS![]() | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D | 2RFQ | 0.72 | ![]() |
1PS![]() | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 2GA4 | 0.72 | ![]() |
1PS![]() | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 1R4P | 0.72 | ![]() |
PYS![]() | 2-PYRIDINETHIOL | A,B | 1CTE | 0.73 | ![]() |
PYS![]() | 2-PYRIDINETHIOL | A | 2IPP | 0.73 | ![]() |
275![]() | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.76 | ![]() |
NTN![]() | ISONICOTINAMIDINE | A | 7ADH | 0.72 | ![]() |
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 | ![]() |
NPM![]() | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.73 | ![]() |
AUP![]() | 2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7- TETRAHYDRO-2H-ISOPHOSPHINDOL-1- YL)PYRIDINE | A | 2AAQ | 0.71 | ![]() |
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 | 0.75 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.75 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.75 | ![]() |
760![]() | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.7 | ![]() |
AS3![]() | 4-METHYL-6-PROPYLPYRIDIN-2-AMINE | A,B | 3E6N | 0.74 | ![]() |
RW1![]() | 4-phenylpyrimidine | A,B,C | 3B9S | 0.71 | ![]() |
HBP![]() | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.78 | ![]() |
HBP![]() | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.78 | ![]() |