Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03251028
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 |
275![]() | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.78 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1EUB | 0.75 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1BM6 | 0.75 | ![]() |
GVH![]() | 1H-PYRROLO[2,3-B]PYRIDINE | A | 2UVX | 0.71 | ![]() |
LZJ![]() | 6-(2,6-dibromophenyl)pyrido[2,3- d]pyrimidine-2,7-diamine | A,B | 2V58 | 0.72 | ![]() |
2AP![]() | 2-AMINOPYRIDINE | A | 1AEO | 0.85 | ![]() |
PY8![]() | 6-BROMO-13-THIA-2,4,8,12,19-PENTAAZATRICYCLO[12.3.1.1~3,7~]NONADECA- 1(18),3(19),4,6,14,16-HEXAENE 13,13- DIOXIDE | A | 2J9M | 0.71 | ![]() |
8IP![]() | N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE- 2,3-DIAMINE | A | 2OHR | 0.71 | ![]() |
D4G![]() | A,B,C,D | 2FDY | 0.7 | ![]() | |
DA1![]() | PYRIDINE-2,5-DIAMINE | A | 2AQD | 0.84 | ![]() |
PYS![]() | 2-PYRIDINETHIOL | A,B | 1CTE | 0.71 | ![]() |
PYS![]() | 2-PYRIDINETHIOL | A | 2IPP | 0.71 | ![]() |
AT2![]() | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E7S | 0.72 | ![]() |
AT2![]() | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E7M | 0.72 | ![]() |
AT2![]() | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B,C,D | 3E7G | 0.72 | ![]() |
LI8![]() | N-(3-{[5-BROMO-2-({3-[(PYRROLIDIN- 1-YLCARBONYL)AMINO]PHENYL}AMINO)PYRIMIDIN- 4-YL]AMINO}PROPYL)-2,2-DIMETHYLMALONAMIDE | A | 1Z5M | 0.7 | ![]() |
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 | ![]() |
A11![]() | ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E6L | 0.71 | ![]() |
1BY![]() | [2-(PYRIDIN-2-YLAMINO)ETHANE-1,1- DIYL]BIS(PHOSPHONIC ACID) | A,B | 2I19 | 0.79 | ![]() |
3AP![]() | 3-AMINOPYRIDINE | A | 1AEF | 0.73 | ![]() |
CBQ![]() | [(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO- METHYL]-PHOSPHONIC ACID | A,B | 1T1S | 0.74 | ![]() |
SX2![]() | 4-[(5-bromopyridin-2-yl)amino]- 4-oxobutanoic acid | A,B | 3CJ0 | 0.79 | ![]() |
8AP![]() | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.76 | ![]() |
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 | ![]() |
278![]() | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.73 | ![]() |
PY2![]() | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.71 | ![]() |
AS3![]() | 4-METHYL-6-PROPYLPYRIDIN-2-AMINE | A,B | 3E6N | 0.72 | ![]() |
C4C![]() | N-(4-chlorobenzyl)-N',N'-dimethyl- N-pyridin-2-ylethane-1,2-diamine | A | 2RA7 | 0.72 | ![]() |
NTN![]() | ISONICOTINAMIDINE | A | 7ADH | 0.78 | ![]() |
BVF![]() | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.86 | ![]() |
BVF![]() | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.86 | ![]() |
1SQ![]() | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.77 | ![]() |
286![]() | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.77 | ![]() |
LG4![]() | 5-METHYLPYRIDIN-2-AMINE | A | 2EUP | 0.87 | ![]() |
MPI![]() | IMIDAZO[1,2-A]PYRIDINE | A | 1AEM | 0.74 | ![]() |
26D![]() | PYRIDINE-2,6-DIAMINE | A | 2ANZ | 0.81 | ![]() |
HBP![]() | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.7 | ![]() |
HBP![]() | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.7 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.76 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.76 | ![]() |
11X![]() | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.72 | ![]() |
4AP![]() | 4-AMINOPYRIDINE | A | 1AEG | 0.73 | ![]() |