Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02377912
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 |
714 | 1-(2,2-diphosphonoethyl)-3-(octyloxy)pyridinium | A,B | 3EFQ | 0.71 | |
GPI | (2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3- DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE | A | 1F40 | 0.71 | |
K27 | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.7 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B,C | 2W2I | 0.72 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A | 2GKL | 0.72 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2VD7 | 0.72 | |
PD2 | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2JIG | 0.72 | |
PBO | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 0.71 | |
NIO | NICOTINIC ACID | A | 1JHQ | 0.75 | |
NIO | NICOTINIC ACID | A | 1L5L | 0.75 | |
NIO | NICOTINIC ACID | A | 2F7F | 0.75 | |
NIO | NICOTINIC ACID | A | 1L5K | 0.75 | |
NIO | NICOTINIC ACID | A | 1JHY | 0.75 | |
NIO | NICOTINIC ACID | A,B | 1FSL | 0.75 | |
NIO | NICOTINIC ACID | A | 1L5M | 0.75 | |
NIO | NICOTINIC ACID | A | 1LH6 | 0.75 | |
NIO | NICOTINIC ACID | A | 1JHO | 0.75 | |
NIO | NICOTINIC ACID | A | 3CI8 | 0.75 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICU | 0.75 | |
NIO | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.75 | |
NIO | NICOTINIC ACID | A | 1JHA | 0.75 | |
NIO | NICOTINIC ACID | A | 1JHV | 0.75 | |
NIO | NICOTINIC ACID | A | 1L4N | 0.75 | |
NIO | NICOTINIC ACID | A | 2LH6 | 0.75 | |
NIO | NICOTINIC ACID | A | 1D0V | 0.75 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICV | 0.75 | |
NIO | NICOTINIC ACID | A,B | 1ICR | 0.75 | |
NIO | NICOTINIC ACID | A | 1JHR | 0.75 | |
RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YV5 | 0.74 | |
RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A,B | 1RQJ | 0.74 | |
RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YQ7 | 0.74 | |
RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YHL | 0.74 | |
RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 2QIS | 0.74 | |
RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A,B | 2O1O | 0.74 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D | 2RFQ | 0.71 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 2GA4 | 0.71 | |
1PS | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 1R4P | 0.71 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.71 | |
BVF | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.71 | |
PY7 | PYRIDIN-4-YLMETHANOL | A | 2EUR | 0.84 | |
PAA | (N-METHYLPYRIDYL)ACETIC ACID | I | 1HBT | 0.83 | |
OBI | 1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME | A,B | 2GYW | 0.78 | |
722 | 1-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridinium | A,B | 3EGT | 0.71 | |
PMC | 3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1I43 | 0.7 | |
282 | 3-methoxypyridine | X | 2RBZ | 0.75 | |
NTN | ISONICOTINAMIDINE | A | 7ADH | 0.72 | |
PY2 | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.71 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.73 | |
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 | |
MIL | MILRINONE | A,B | 1TLM | 0.71 | |
NCN | NICOTINATE MONONUCLEOTIDE | A,B | 2QTN | 0.71 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4F | 0.71 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4L | 0.71 | |
NCN | NICOTINATE MONONUCLEOTIDE | A,B,C,D | 1YUM | 0.71 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4M | 0.71 | |
NCN | NICOTINATE MONONUCLEOTIDE | A,B,C,D,E,F | 1QPN | 0.71 | |
NCN | NICOTINATE MONONUCLEOTIDE | A,B,C | 2B7Q | 0.71 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4K | 0.71 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4G | 0.71 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1YTK | 0.71 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L4H | 0.71 | |
NCN | NICOTINATE MONONUCLEOTIDE | A | 1L5O | 0.71 | |
HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHQ | 0.71 | |
HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHP | 0.71 | |
HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2GYU | 0.71 | |
PYF | 3-PYRIDINYLCARBINOL | A,B | 1R16 | 0.79 | |
INP | 4-[[N-[(PHENYLMETHOXY)CARBONYL]- /NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4- (PYRIDINYLMETHOXY)CARBONYL]AMINO]- 4-METHYLPENT/NYL]-3-PYRROLIDINONE/N | A | 1AU4 | 0.73 | |
PRR | 3-(METHYL-PYRIDINIUM)ALANINE | H,I,J | 7KME | 0.73 | |
INO | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCL | 0.73 | |
INO | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCJ | 0.73 | |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.76 | |
3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.76 | |
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 | |
DRP | 2-DEOXYRIBOFURANOSYL-PYRIDINE-5'- MONOPHOSPHATE | A,B | 1JES | 0.73 | |
721 | 3-butoxy-1-(2,2-diphosphonoethyl)pyridinium | A,B | 3DYH | 0.73 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B,C,D | 1W6F | 0.71 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2V2E | 0.71 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | X | 2VCF | 0.71 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCS | 0.71 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCN | 0.71 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B | 1XR3 | 0.71 |