Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01961913
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 |
24X![]() | H,L | 2EC9 | 0.71 | ![]() | |
DZF![]() | 5-DEAZAFOLIC ACID | A,B | 2DHF | 0.71 | ![]() |
DZF![]() | 5-DEAZAFOLIC ACID | A,B | 1DYH | 0.71 | ![]() |
DZF![]() | 5-DEAZAFOLIC ACID | A,B,C,D | 1CDE | 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 | 0.72 | ![]() |
C92![]() | N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)- 4-methyl-benzene-1,3-dicarboxamide | A,B | 3CPB | 0.74 | ![]() |
G44![]() | 4-({[4-(3-METHYLBENZOYL)PYRIDIN- 2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE | C,D | 2PKS | 0.72 | ![]() |
8AP![]() | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.77 | ![]() |
FXV![]() | METHYL-3-(4'-N-OXOPYRIDYLPHENOYL)- 3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE | A | 1KSN | 0.72 | ![]() |
JNK![]() | N-{2'-[(4-FLUOROPHENYL)AMINO]-4,4'- BIPYRIDIN-2-YL}-4-METHOXYCYCLOHEXANECARBOXAMIDE | X | 2EXC | 0.74 | ![]() |
AT2![]() | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E7S | 0.72 | ![]() |
AT2![]() | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E7M | 0.72 | ![]() |
AT2![]() | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B,C,D | 3E7G | 0.72 | ![]() |
FOL![]() | FOLIC ACID | A | 1PJ6 | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A,B | 1RD7 | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A,B | 1DHF | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A,B,C,D,E | 1QZF | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A | 4CD2 | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A | 1RX7 | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A | 1RX2 | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A | 1RX8 | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A | 1RA2 | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A,B | 1RE7 | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A | 7DFR | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A | 1VIF | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A,B | 1RB2 | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A | 1CD2 | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A | 2CD2 | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A,B | 1DYI | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A | 1DRF | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A,B,C,D | 3BMC | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A,B | 2D0K | 0.7 | ![]() |
FOL![]() | FOLIC ACID | A | 1RA8 | 0.7 | ![]() |
CC3![]() | N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN- 2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE | A | 2NP8 | 0.71 | ![]() |
DA1![]() | PYRIDINE-2,5-DIAMINE | A | 2AQD | 0.71 | ![]() |
8IP![]() | N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE- 2,3-DIAMINE | A | 2OHR | 0.74 | ![]() |
985![]() | (2E)-3-{3-[6-(4-methyl-1,4-diazepan- 1-yl)pyrazin-2-yl]phenyl}prop-2- enoic acid | A | 3F2A | 0.71 | ![]() |
BP5![]() | 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE | A | 2PXH | 0.73 | ![]() |
L17![]() | L17 | A,B | 1Z71 | 0.7 | ![]() |
4QB![]() | 3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)- BENZOYLAMINO]-HEXANOYLAMINO}-4- OXO-BUTYRIC ACID | A | 1RWN | 0.72 | ![]() |
CII![]() | N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide | A | 2W0A | 0.73 | ![]() |
4PP![]() | C,L | 1XKA | 0.73 | ![]() | |
4PP![]() | A,B,C,D | 1XKB | 0.73 | ![]() |