Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03209983
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 |
CMW![]() | 3-{[(4-methylphenyl)sulfonyl]amino}propyl pyridin- 4-ylcarbamate | A | 2W0B | 0.7 | ![]() |
CDA![]() | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2- (2-PYRIDINYL)ETHYL]AMINO}-2-OXO- 1(2H)-PYRAZINYL)-N-[(2-FLUORO-6- PYRIDINYL)METHYL]ACETAMIDE | B,C | 1MU6 | 0.71 | ![]() |
K27![]() | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.7 | ![]() |
DGB![]() | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2G97 | 0.71 | ![]() |
DGB![]() | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2GVJ | 0.71 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1EUB | 0.74 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1BM6 | 0.74 | ![]() |
2AP![]() | 2-AMINOPYRIDINE | A | 1AEO | 0.73 | ![]() |
PYS![]() | 2-PYRIDINETHIOL | A,B | 1CTE | 0.81 | ![]() |
PYS![]() | 2-PYRIDINETHIOL | A | 2IPP | 0.81 | ![]() |
1CM![]() | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.71 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B,C,D | 1W6F | 0.72 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2V2E | 0.72 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | X | 2VCF | 0.72 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCS | 0.72 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCN | 0.72 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B | 1XR3 | 0.72 | ![]() |
BVF![]() | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.71 | ![]() |
BVF![]() | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.71 | ![]() |
C53![]() | 2-IMINO-5-(1-PYRIDIN-2-YL-METH- (E)-YLIDENE)-1,3-THIAZOLIDIN-4- ONE | A | 2V0D | 0.75 | ![]() |
IQS![]() | N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE | E | 1YDS | 0.72 | ![]() |
3AP![]() | 3-AMINOPYRIDINE | A | 1AEF | 0.75 | ![]() |
275![]() | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.74 | ![]() |
LG4![]() | 5-METHYLPYRIDIN-2-AMINE | A | 2EUP | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2E5D | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1DMA | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISM | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1YC5 | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2ZB7 | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2QQG | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2OTV | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2QHF | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2C8A | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2HJH | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2A15 | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2R6V | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISI | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A,D,E | 2R9J | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2H4J | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2OD9 | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 3DZG | 0.72 | ![]() |
NCA![]() | NICOTINAMIDE | A | 1OJU | 0.72 | ![]() |
IQU![]() | N-(2-AMINOETHYL)ISOQUINOLINE-5- SULFONAMIDE | A,B,C,D | 2CKE | 0.71 | ![]() |
11X![]() | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.75 | ![]() |
Y27![]() | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2GNF | 0.74 | ![]() |
Y27![]() | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2H9V | 0.74 | ![]() |
Y27![]() | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A,B | 2ETR | 0.74 | ![]() |
Y27![]() | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2GNJ | 0.74 | ![]() |
Y27![]() | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 1Q8T | 0.74 | ![]() |
286![]() | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.74 | ![]() |
CII![]() | N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide | A | 2W0A | 0.72 | ![]() |
PY2![]() | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.76 | ![]() |
D4G![]() | A,B,C,D | 2FDY | 0.82 | ![]() | |
MIL![]() | MILRINONE | A,B | 1TLM | 0.76 | ![]() |
SPY![]() | 4-HYDROSULFONYLPYRIDINE | A,B | 1IDB | 0.77 | ![]() |
1PS![]() | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D | 2RFQ | 0.78 | ![]() |
1PS![]() | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 2GA4 | 0.78 | ![]() |
1PS![]() | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 1R4P | 0.78 | ![]() |
278![]() | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.7 | ![]() |
U73![]() | N-(5-ISOPROPYL-THIAZOL-2-YL)-2- PYRIDIN-3-YL-ACETAMIDE | A | 2BTR | 0.75 | ![]() |
CM9![]() | CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)- 1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE | A | 2W09 | 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 | 0.7 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.7 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.7 | ![]() |
4AP![]() | 4-AMINOPYRIDINE | A | 1AEG | 0.75 | ![]() |
245![]() | 1-(2-chloropyridin-4-yl)-3-phenylurea | A | 2QKN | 0.7 | ![]() |
I11![]() | [[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN- 4-YL-AMINOMETHYL]ALANYL]PIPERIDINE | H | 1UVS | 0.72 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.76 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.76 | ![]() |
NTN![]() | ISONICOTINAMIDINE | A | 7ADH | 0.73 | ![]() |