Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02368744
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 |
APT![]() | 2-AMINO-6-[(4-CARBOXY-PHENYLAMINO)- METHYL]-4-HYDROXY-PTERIDIN-1-IUM | A,B | 1QCJ | 0.73 | ![]() |
C24![]() | 3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)- METHYL]-3-METHYL-3H-BENZOIMIDAZOLE- 5-CARBONYL}-PYRIDIN-2-YL-AMINO)- PROPIONIC ACID ETHYL ESTER | B,C | 1KTS | 0.74 | ![]() |
1N8![]() | N-{2-[(N,N-DIETHYLGLYCYL)AMINO]- 5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL- 3-[2-(METHYLAMINO)QUINAZOLIN-6- YL]BENZAMIDE | A,B | 2OG8 | 0.71 | ![]() |
CYE![]() | B | 1PQQ | 0.72 | ![]() | |
BTH![]() | 4-OXO-3-{6-[4-(QUINOXALIN-2-YLAMINO)- BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}- PENTANOIC ACID | A | 1RWO | 0.72 | ![]() |
3BI![]() | (2S)-2-{[(R)-[(3R)-3-carboxy-3- {[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}propyl](hydroxy)phosphoryl]methyl}pentanedioic acid | A | 3BI1 | 0.85 | ![]() |
AXD![]() | 2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)- 5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)- 4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID | B | 2I03 | 0.71 | ![]() |
COP![]() | N-(4-CARBOXY-4-{4-[(2,4-DIAMINO- PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}- BUTYL)-PHTHALAMIC ACID | A | 1OHJ | 0.82 | ![]() |
COP![]() | N-(4-CARBOXY-4-{4-[(2,4-DIAMINO- PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}- BUTYL)-PHTHALAMIC ACID | A | 1OHK | 0.82 | ![]() |
DVP![]() | METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN- 6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE- 4-CARBOXYLATE | A,B,C,D,E,F, G,H | 3H4V | 0.86 | ![]() |
FE1![]() | METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN- 6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE- 4-CARBOXYLATE | A,B,C,D | 2QHX | 0.84 | ![]() |
DZF![]() | 5-DEAZAFOLIC ACID | A,B | 2DHF | 0.78 | ![]() |
DZF![]() | 5-DEAZAFOLIC ACID | A,B | 1DYH | 0.78 | ![]() |
DZF![]() | 5-DEAZAFOLIC ACID | A,B,C,D | 1CDE | 0.78 | ![]() |
3BD![]() | 7-amino-2-tert-butyl-4-(4-pyrimidin- 2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidine- 6-carboxamide | A | 3BAB | 0.74 | ![]() |
855![]() | 2-(6-methylpyridin-2-yl)-N-pyridin- 4-ylquinazolin-4-amine | A | 3HMM | 0.7 | ![]() |
3BA![]() | 7-amino-2-tert-butyl-4-{[2-(1H- imidazol-4-yl)ethyl]amino}pyrido[2,3- d]pyrimidine-6-carboxamide | A | 3BAA | 0.76 | ![]() |
356![]() | 8-[(3R)-3-Aminopiperidin-1-yl]- 7-but-2-yn-1-yl-3-methyl-1-[(4- methylquinazolin-2-yl)methyl]-3,7- dihydro-1H-purine-2,6-dione | A,B | 2RGU | 0.72 | ![]() |
4QB![]() | 3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)- BENZOYLAMINO]-HEXANOYLAMINO}-4- OXO-BUTYRIC ACID | A | 1RWN | 0.77 | ![]() |
553![]() | (7S)-2-(2-aminopyrimidin-4-yl)- 7-(2-fluoroethyl)-1,5,6,7-tetrahydro- 4H-pyrrolo[3,2-c]pyridin-4-one | A,B | 3DU8 | 0.71 | ![]() |
AM9![]() | 6-(2,6-dimethylphenyl)-2-{[4-(4- methylpiperazin-1-yl)phenyl]amino}pyrimido[5',4':5,6]pyrimido[1,2- a]benzimidazol-5(6H)-one | A | 3BYO | 0.71 | ![]() |
199![]() | N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]- 1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE | A | 1ZYS | 0.72 | ![]() |