Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01061379
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 |
VDN![]() | 2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN- 1-YL)SULFONYL]PHENYL}-5-METHYL- 7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN- 4(1H)-ONE | A | 1XP0 | 0.71 | ![]() |
VDN![]() | 2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN- 1-YL)SULFONYL]PHENYL}-5-METHYL- 7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN- 4(1H)-ONE | A,B | 3B2R | 0.71 | ![]() |
VDN![]() | 2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN- 1-YL)SULFONYL]PHENYL}-5-METHYL- 7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN- 4(1H)-ONE | A,B | 1XOT | 0.71 | ![]() |
VDN![]() | 2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN- 1-YL)SULFONYL]PHENYL}-5-METHYL- 7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN- 4(1H)-ONE | A | 1UHO | 0.71 | ![]() |
PO5![]() | (2S)-1-(dimethylamino)-3-(4-{[4- (6-morpholin-4-ylpyrazolo[1,5-b]pyridazin- 3-yl)pyrimidin-2-yl]amino}phenoxy)propan- 2-ol | A | 3EID | 0.71 | ![]() |
KS4![]() | 1-cyclobutyl-3-(3,4-dimethoxyphenyl)- 1H-pyrazolo[3,4-d]pyrimidin-4-amine | A,B | 3EN5 | 0.72 | ![]() |
J78![]() | (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE | 1,4 | 1VBE | 0.71 | ![]() |
J78![]() | (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE | 1,4 | 1VBA | 0.71 | ![]() |
J78![]() | (METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE | 1,4 | 1VBD | 0.71 | ![]() |
PQA![]() | [5-AMINO-1-(4-FLUOROPHENYL)-1H- PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE | A | 2BAL | 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 | ![]() |
JEN![]() | 3-METHOXY-6-[4-(3-METHYLPHENYL)- 1-PIPERAZINYL]PYRIDAZINE | 1 | 1R09 | 0.7 | ![]() |
JEN![]() | 3-METHOXY-6-[4-(3-METHYLPHENYL)- 1-PIPERAZINYL]PYRIDAZINE | 1 | 2HWF | 0.7 | ![]() |
R86![]() | 2-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)- 6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN- 2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE | A | 2ORP | 0.72 | ![]() |
3P4![]() | 5-[2-(BUT-3-EN-1-YLOXY)-5-(1-HYDROXYVINYL)PYRIDIN- 3-YL]-3-ETHYL-2-(1-ETHYLAZETIDIN- 3-YL)-1,2,6,7A-TETRAHYDRO-7H-PYRAZOLO[4,3- D]PYRIMIDIN-7-ONE | A | 2CHM | 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 | 0.71 | ![]() |
4JZ![]() | 1-[5-tert-butyl-2-(4-methylphenyl)- 1,2-dihydro-3H-pyrazol-3-ylidene]- 3-{3-[(pyridin-3-yloxy)methyl]- 1H-pyrazol-5-yl}urea | A | 3FZT | 0.73 | ![]() |
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 | 0.74 | ![]() |
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 | 0.74 | ![]() |
228![]() | N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]- 1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN- 4-YL]-D-PROLINAMIDE | A | 2ORO | 0.7 | ![]() |
J80![]() | (METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE | 1,4 | 1VBB | 0.71 | ![]() |
J80![]() | (METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE | 1,4 | 1PO1 | 0.71 | ![]() |
VIA![]() | 5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN- 1-YL)SULFONYL]PHENYL}-1-METHYL- 3-PROPYL-1H,6H,7H-PYRAZOLO[4,3- D]PYRIMIDIN-7-ONE | A | 1XOS | 0.76 | ![]() |
VIA![]() | 5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN- 1-YL)SULFONYL]PHENYL}-1-METHYL- 3-PROPYL-1H,6H,7H-PYRAZOLO[4,3- D]PYRIMIDIN-7-ONE | A | 1TBF | 0.76 | ![]() |
VIA![]() | 5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN- 1-YL)SULFONYL]PHENYL}-1-METHYL- 3-PROPYL-1H,6H,7H-PYRAZOLO[4,3- D]PYRIMIDIN-7-ONE | A,B,C | 2H42 | 0.76 | ![]() |
VIA![]() | 5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN- 1-YL)SULFONYL]PHENYL}-1-METHYL- 3-PROPYL-1H,6H,7H-PYRAZOLO[4,3- D]PYRIMIDIN-7-ONE | A | 1UDT | 0.76 | ![]() |
L09![]() | N-(3-TERT-BUTYL-1H-PYRAZOL-5-YL)- N'-{4-CHLORO-3-[(PYRIDIN-3-YLOXY)METHYL]PHENYL}UREA | A | 1WBN | 0.7 | ![]() |
FRI![]() | 2-GUANIDINO-4-METHYL-PENTANOIC ACID [2- (4-{5-[4-(4-ACETYLAMINO-BENZYLOXY)- 2,3-DICHLORO-PHENYL]-2-METHYL-2H- PYRAZOL-3-YL}-PIPERIDIN-1-YL)-2- OXO-ETHYL]-AMIDE | A,B,C,D | 1QVN | 0.74 | ![]() |
J77![]() | (METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE | 1,4 | 1PO2 | 0.72 | ![]() |
J77![]() | (METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE | 1,4 | 1VBC | 0.72 | ![]() |