Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00007699
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 |
NI9![]() | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM | A | 2OPM | 0.75 | ![]() |
NI9![]() | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 3DYF | 0.75 | ![]() |
NI9![]() | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 3DYG | 0.75 | ![]() |
286![]() | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.83 | ![]() |
1PS![]() | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D | 2RFQ | 0.79 | ![]() |
1PS![]() | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 2GA4 | 0.79 | ![]() |
1PS![]() | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 1R4P | 0.79 | ![]() |
LG4![]() | 5-METHYLPYRIDIN-2-AMINE | A | 2EUP | 0.75 | ![]() |
5IQ![]() | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.71 | ![]() |
OBI![]() | 1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME | A,B | 2GYW | 0.74 | ![]() |
275![]() | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.77 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B,C,D | 1W6F | 0.73 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2V2E | 0.73 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | X | 2VCF | 0.73 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCS | 0.73 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCN | 0.73 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B | 1XR3 | 0.73 | ![]() |
NTN![]() | ISONICOTINAMIDINE | A | 7ADH | 0.81 | ![]() |
CBQ![]() | [(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO- METHYL]-PHOSPHONIC ACID | A,B | 1T1S | 0.77 | ![]() |
246![]() | 1-benzyl-3-(2-chloropyridin-4-yl)urea | A | 2QPM | 0.74 | ![]() |
PYS![]() | 2-PYRIDINETHIOL | A,B | 1CTE | 0.83 | ![]() |
PYS![]() | 2-PYRIDINETHIOL | A | 2IPP | 0.83 | ![]() |
245![]() | 1-(2-chloropyridin-4-yl)-3-phenylurea | A | 2QKN | 0.79 | ![]() |
PYF![]() | 3-PYRIDINYLCARBINOL | A,B | 1R16 | 0.72 | ![]() |
IM4![]() | (2E)-1-[(6-chloropyridin-3-yl)methyl]- N-nitroimidazolidin-2-imine | A,C,D,E | 2ZJU | 0.74 | ![]() |
IM4![]() | (2E)-1-[(6-chloropyridin-3-yl)methyl]- N-nitroimidazolidin-2-imine | A,B,C,D | 3C79 | 0.74 | ![]() |
D4G![]() | A,B,C,D | 2FDY | 0.78 | ![]() | |
3MP![]() | 3-METHYLPYRIDINE | A | 1EUB | 0.86 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1BM6 | 0.86 | ![]() |
SPY![]() | 4-HYDROSULFONYLPYRIDINE | A,B | 1IDB | 0.8 | ![]() |
DA1![]() | PYRIDINE-2,5-DIAMINE | A | 2AQD | 0.75 | ![]() |
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 | 0.76 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.76 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.76 | ![]() |
PY7![]() | PYRIDIN-4-YLMETHANOL | A | 2EUR | 0.73 | ![]() |
CLQ![]() | N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1- DIETHYL-PENTANE-1,4-DIAMINE | A | 1CET | 0.71 | ![]() |
BVF![]() | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.75 | ![]() |
BVF![]() | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.75 | ![]() |
11X![]() | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.75 | ![]() |
3AP![]() | 3-AMINOPYRIDINE | A | 1AEF | 0.79 | ![]() |
278![]() | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.73 | ![]() |
ISQ![]() | ISOQUINOLINE | A | 1GDK | 0.77 | ![]() |
HBP![]() | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.75 | ![]() |
HBP![]() | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.75 | ![]() |
4AP![]() | 4-AMINOPYRIDINE | A | 1AEG | 0.78 | ![]() |
RIS![]() | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YV5 | 0.71 | ![]() |
RIS![]() | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A,B | 1RQJ | 0.71 | ![]() |
RIS![]() | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YQ7 | 0.71 | ![]() |
RIS![]() | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YHL | 0.71 | ![]() |
RIS![]() | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 2QIS | 0.71 | ![]() |
RIS![]() | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A,B | 2O1O | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2E5D | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1DMA | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISM | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1YC5 | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2ZB7 | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2QQG | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2OTV | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2QHF | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2C8A | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2HJH | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2A15 | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2R6V | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISI | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,D,E | 2R9J | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2H4J | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2OD9 | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 3DZG | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A | 1OJU | 0.71 | ![]() |
EPJ![]() | EPIBATIDINE | A,B,C,D,E | 2BYQ | 0.77 | ![]() |
PY2![]() | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.82 | ![]() |
C4C![]() | N-(4-chlorobenzyl)-N',N'-dimethyl- N-pyridin-2-ylethane-1,2-diamine | A | 2RA7 | 0.75 | ![]() |
1CI![]() | 1-(4-CHLOROPHENYL)-1H-IMIDAZOLE | A,B,C,D,E,F,G | 2Q6N | 0.7 | ![]() |
2AP![]() | 2-AMINOPYRIDINE | A | 1AEO | 0.76 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.81 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.81 | ![]() |
26D![]() | PYRIDINE-2,6-DIAMINE | A | 2ANZ | 0.71 | ![]() |
TH4![]() | {(2Z)-3-[(6-chloropyridin-3-yl)methyl]- 1,3-thiazolidin-2-ylidene}cyanamide | A,B,C,D,E | 3C84 | 0.78 | ![]() |