Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02067483
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 |
310 | N-carbamimidoyl-2-[2-(2-chlorophenyl)- 5-[4-(4-ethanoylphenoxy)phenyl]pyrrol- 1-yl]ethanamide | A | 2ZDZ | 0.7 | |
35F | N-{3-[5-(1H-1,2,4-triazol-3-yl)- 1H-indazol-3-yl]phenyl}furan-2- carboxamide | A,B | 3E7O | 0.78 | |
JEN | 3-METHOXY-6-[4-(3-METHYLPHENYL)- 1-PIPERAZINYL]PYRIDAZINE | 1 | 1R09 | 0.74 | |
JEN | 3-METHOXY-6-[4-(3-METHYLPHENYL)- 1-PIPERAZINYL]PYRIDAZINE | 1 | 2HWF | 0.74 | |
J77 | (METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE | 1,4 | 1PO2 | 0.8 | |
J77 | (METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE | 1,4 | 1VBC | 0.8 | |
5IG | 6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-4-(3-METHOXYPROPYL)-2,2-DIMETHYL- 2H-1,4-BENZOXAZIN-3(4H)-ONE | A,B | 2G1Y | 0.71 | |
5CN | 5-CYANO-FURAN-2-CARBOXYLIC ACID [5- HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN- 1-YL)-PHENYL]-AMIDE | A | 2I1M | 0.73 | |
5CN | 5-CYANO-FURAN-2-CARBOXYLIC ACID [5- HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN- 1-YL)-PHENYL]-AMIDE | A | 2I0Y | 0.73 | |
L3G | N-(4-{4-AMINO-1-[1-(TETRAHYDRO- 2H-PYRAN-4-YL)PIPERIDIN-4-YL]-1H- PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}- 2-METHOXYPHENYL)-1-METHYL-1H-INDOLE- 2-CARBOXAMIDE | A,B | 2C0T | 0.71 | |
3IG | N-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO- 4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE | A,B | 2G1R | 0.71 | |
J78 | (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE | 1,4 | 1VBE | 0.79 | |
J78 | (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE | 1,4 | 1VBA | 0.79 | |
J78 | (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE | 1,4 | 1VBD | 0.79 | |
4IG | (2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-2-(3,5-DIFLUOROPHENYL)-4- (3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN- 3(4H)-ONE | A,B | 2G1S | 0.71 | |
5FR | 4-({1-[3-(3-amino-3-oxopropyl)- 5-chlorophenyl]-3-methyl-1H-pyrazolo[4,3- c]pyridin-6-yl}amino)-3-methoxy- N-(1-methylpiperidin-4-yl)benzamide | A | 3DBF | 0.7 | |
608 | N-(4-phenoxyphenyl)-2-[(pyridin- 4-ylmethyl)amino]nicotinamide | A,B | 2P2I | 0.72 | |
3B9 | N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin- 7-yl)-2-methylpropyl]-4-phenoxybenzamide | A | 3BAC | 0.71 | |
3B9 | N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin- 7-yl)-2-methylpropyl]-4-phenoxybenzamide | A | 3BA9 | 0.71 | |
J80 | (METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE | 1,4 | 1VBB | 0.79 | |
J80 | (METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE | 1,4 | 1PO1 | 0.79 | |
FRH | 5-[2,3-DICHLORO-4-(5-{1-[2-(2-GUANIDINO- 4-METHYL-PENTANOYLAMINO)-ACETYL]- PIPERIDIN-4-YL}-1-METHYL-1H-PYRAZOL- 3-YL)-PHENOXYMETHYL]-FURAN-2-CARBOXYLIC ACID | A,B,C,D | 1PY2 | 0.7 | |
UA4 | (2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-2-(3,5-DIFLUOROPHENYL)-4- (3-METHOXYPROPYL)-2-METHYL-2H-1,4- BENZOXAZIN-3(4H)-ONE | A,B | 2I4Q | 0.71 | |
GG2 | 1-(4-METHOXYPHENYL)-7-OXO-6-[4- (2-OXOPIPERIDIN-1-YL)PHENYL]-4,5,6,7- TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE- 3-CARBOXAMIDE | A | 2P16 | 0.72 | |
B96 | 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL- 3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)- NAPHTHALEN-1-YL]-UREA | A | 3FZS | 0.72 | |
B96 | 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL- 3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)- NAPHTHALEN-1-YL]-UREA | A | 1KV2 | 0.72 | |
L1G | N-(4-{4-AMINO-1-[4-(4-METHYLPIPERAZIN- 1-YL)-TRANS-CYCLOHEXYL]-1H-PYRAZOLO[3,4- D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)- 1-METHYL-1H-INDOLE-2-CARBOXAMIDE | A,B | 2C0I | 0.7 | |
PQA | [5-AMINO-1-(4-FLUOROPHENYL)-1H- PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE | A | 2BAL | 0.72 | |
CKK | N-{[4-({5-[(4-aminopiperidin-1- yl)methyl]pyrrolo[2,1-f][1,2,4]triazin- 4-yl}oxy)-3-fluorophenyl]carbamoyl}- 2-(4-fluorophenyl)acetamide | A | 3C1X | 0.71 |