Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02877777
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 |
PPX![]() | [PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN- 4-YLAMINO)-ETHYL]-AMINE | E,H | 1QBV | 0.71 | ![]() |
3AP![]() | 3-AMINOPYRIDINE | A | 1AEF | 0.72 | ![]() |
N12![]() | N-[(1R)-2-[(1-{[({6-[AMINO(IMINO)METHYL]PYRIDIN- 3-YL}METHYL)AMINO]CARBONYL}CYCLOPENTYL)AMINO]- 1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]GLYCINE | H,P | 2ANK | 0.73 | ![]() |
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 | ![]() |
CDO![]() | 2-((R)-1-((S)-2-(N-(6-CARBAMIMIDOYLPYRIDIN- 3-YL)METHYLCARBAMOYL)-2H-PYRROL- 1(5H)-YL)-3-CYCLOHEXYL-1-OXOPROPAN- 2-YLAMINO)ACETIC ACID | H | 2ANM | 0.73 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.77 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.77 | ![]() |
11X![]() | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.71 | ![]() |
275![]() | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.74 | ![]() |
PYC![]() | PYRROLE-2-CARBOXYLATE | A | 1W62 | 0.71 | ![]() |
PYC![]() | PYRROLE-2-CARBOXYLATE | A,B | 1L9D | 0.71 | ![]() |
PYC![]() | PYRROLE-2-CARBOXYLATE | A,B | 2CWH | 0.71 | ![]() |
PYC![]() | PYRROLE-2-CARBOXYLATE | A,B | 1W61 | 0.71 | ![]() |
PYC![]() | PYRROLE-2-CARBOXYLATE | A,B | 1ELI | 0.71 | ![]() |
NPH![]() | CYSTEINE-METHYLENE-CARBAMOYL-1,10- PHENANTHROLINE | A | 1A18 | 0.73 | ![]() |
CII![]() | N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide | A | 2W0A | 0.72 | ![]() |
278![]() | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.73 | ![]() |
CM9![]() | CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)- 1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE | A | 2W09 | 0.77 | ![]() |
C53![]() | 2-IMINO-5-(1-PYRIDIN-2-YL-METH- (E)-YLIDENE)-1,3-THIAZOLIDIN-4- ONE | A | 2V0D | 0.79 | ![]() |
PRR![]() | 3-(METHYL-PYRIDINIUM)ALANINE | H,I,J | 7KME | 0.72 | ![]() |
286![]() | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.72 | ![]() |
NA9![]() | N-(CARBOXYMETHYL)-3-CYCLOHEXYL- D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN- 3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE | H,P | 2A2X | 0.73 | ![]() |
M2C![]() | (2S)-2-AMINO-4-(METHYLSULFANYL)- 1-PYRIDIN-2-YLBUTANE-1,1-DIOL | A | 1QXY | 0.77 | ![]() |
BP5![]() | 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE | A | 2PXH | 0.74 | ![]() |
I11![]() | [[CYCLOHEXANESULFONYL-GLYCYL]-3[PYRIDIN- 4-YL-AMINOMETHYL]ALANYL]PIPERIDINE | H | 1UVS | 0.72 | ![]() |