Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02635868
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 |
LG4 | 5-METHYLPYRIDIN-2-AMINE | A | 2EUP | 0.73 | |
BRT | 5-BROMONICOTINAMIDE | A,B | 1GXZ | 0.74 | |
NTN | ISONICOTINAMIDINE | A | 7ADH | 0.79 | |
PY7 | PYRIDIN-4-YLMETHANOL | A | 2EUR | 0.72 | |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.74 | |
APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.74 | |
793 | 3-{[(1R)-1-phenylethyl]amino}-4- (pyridin-4-ylamino)cyclobut-3-ene- 1,2-dione | A | 3FPM | 0.75 | |
C48 | N1-(1-DIMETHYLCARBAMOYL-2-PHENYL- ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL- ETHYL)-SUCCINAMIDE | A | 1CVZ | 0.71 | |
HLO | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEY | 0.76 | |
HLO | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEZ | 0.76 | |
OBI | 1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME | A,B | 2GYW | 0.74 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B,C,D | 1W6F | 0.85 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2V2E | 0.85 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | X | 2VCF | 0.85 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCS | 0.85 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCN | 0.85 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B | 1XR3 | 0.85 | |
PBO | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 0.76 | |
DGB | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2G97 | 0.79 | |
DGB | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2GVJ | 0.79 | |
PY2 | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.74 | |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.77 | |
3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.77 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.71 | |
3AP | 3-AMINOPYRIDINE | A | 1AEF | 0.73 | |
HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHQ | 0.77 | |
HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHP | 0.77 | |
HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2GYU | 0.77 | |
246 | 1-benzyl-3-(2-chloropyridin-4-yl)urea | A | 2QPM | 0.72 | |
Y27 | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2GNF | 0.76 | |
Y27 | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2H9V | 0.76 | |
Y27 | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A,B | 2ETR | 0.76 | |
Y27 | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2GNJ | 0.76 | |
Y27 | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 1Q8T | 0.76 | |
C53 | 2-IMINO-5-(1-PYRIDIN-2-YL-METH- (E)-YLIDENE)-1,3-THIAZOLIDIN-4- ONE | A | 2V0D | 0.74 | |
MIL | MILRINONE | A,B | 1TLM | 0.94 | |
8AP | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.71 | |
B14 | 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'- DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)- QUINAZOLINE]-4'-AMINE | A,B | 3E7T | 0.7 | |
1CM | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.75 | |
PAA | (N-METHYLPYRIDYL)ACETIC ACID | I | 1HBT | 0.72 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.72 | |
QYT | (5E)-5-(QUINOXALIN-6-YLMETHYLENE)- 1,3-THIAZOLIDINE-2,4-DIONE | A | 2A5U | 0.72 | |
8ST | N-(4-chlorophenyl)-2-[(pyridin- 4-ylmethyl)amino]benzamide | A | 3HNG | 0.72 | |
CM9 | CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)- 1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE | A | 2W09 | 0.7 | |
MYT | METYRAPONE | A | 1PHG | 0.73 | |
MYT | METYRAPONE | A | 1W0G | 0.73 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.74 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.74 | |
NCA | NICOTINAMIDE | A,B | 2E5D | 0.82 | |
NCA | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.82 | |
NCA | NICOTINAMIDE | A,B | 1DMA | 0.82 | |
NCA | NICOTINAMIDE | A,B | 1ISM | 0.82 | |
NCA | NICOTINAMIDE | A,B | 1YC5 | 0.82 | |
NCA | NICOTINAMIDE | A | 2ZB7 | 0.82 | |
NCA | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.82 | |
NCA | NICOTINAMIDE | A,B | 2QQG | 0.82 | |
NCA | NICOTINAMIDE | A | 2OTV | 0.82 | |
NCA | NICOTINAMIDE | A | 2QHF | 0.82 | |
NCA | NICOTINAMIDE | A,B,C,D | 2C8A | 0.82 | |
NCA | NICOTINAMIDE | A,B | 2HJH | 0.82 | |
NCA | NICOTINAMIDE | A | 2A15 | 0.82 | |
NCA | NICOTINAMIDE | A | 2R6V | 0.82 | |
NCA | NICOTINAMIDE | A,B | 1ISI | 0.82 | |
NCA | NICOTINAMIDE | A,D,E | 2R9J | 0.82 | |
NCA | NICOTINAMIDE | A | 2H4J | 0.82 | |
NCA | NICOTINAMIDE | A,B | 2OD9 | 0.82 | |
NCA | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.82 | |
NCA | NICOTINAMIDE | A,B | 3DZG | 0.82 | |
NCA | NICOTINAMIDE | A | 1OJU | 0.82 | |
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 | 0.73 | |
NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.73 | |
NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.73 | |
PM2 | 1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN- 3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE | A,B,C,D | 2BM2 | 0.71 | |
PPX | [PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN- 4-YLAMINO)-ETHYL]-AMINE | E,H | 1QBV | 0.73 | |
CDB | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2- (2-PYRIDINYL)ETHYL]AMINO}-2-OXO- 1(2H)-PYRAZINYL)-N-[(2-FLUORO-3- METHYL-6-PYRIDINYL)METHYL]ACETAMIDE | B,C | 1MU8 | 0.7 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.78 | |
CII | N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide | A | 2W0A | 0.74 | |
U73 | N-(5-ISOPROPYL-THIAZOL-2-YL)-2- PYRIDIN-3-YL-ACETAMIDE | A | 2BTR | 0.75 | |
AT6 | N-[2-(6-AMINO-4-METHYLPYRIDIN-2- YL)ETHYL]-4-CYANOBENZAMIDE | A,B | 3E68 | 0.71 | |
D4G | A,B,C,D | 2FDY | 0.71 | ||
ISQ | ISOQUINOLINE | A | 1GDK | 0.74 | |
K27 | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.8 | |
4AP | 4-AMINOPYRIDINE | A | 1AEG | 0.74 | |
OPN | {(2-AMINO-ETHYL)-[2-(2-OXO-1,2- DIHYDRO-[1,8]NAPHTHYRIDIN-3-YL)- ACETYL]-AMINO}-ACETIC ACID | A,B,C,D | 1HZS | 0.71 | |
2AP | 2-AMINOPYRIDINE | A | 1AEO | 0.71 | |
AT2 | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E7S | 0.71 | |
AT2 | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E7M | 0.71 | |
AT2 | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B,C,D | 3E7G | 0.71 | |
1SQ | ISOQUINOLIN-1-AMINE | A | 2OHK | 0.7 |