Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00038619
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 |
750 | 5-(2-MORPHOLIN-4-YLETHOXY)BENZOFURAN- 2-CARBOXYLIC ACID ((S)-3-METHYL- 1-{(S)-3-OXO-1-[2-(3-PYRIDIN-2- YLPHENYL)ACETYL]AZEPAN-4-YLCARBAMOYL}BUTYL)AMIDE | A,B | 1NL6 | 0.71 | |
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 | 0.74 | |
337 | N-benzyl-1-[5-({5-tert-butyl-2- methoxy-3-[(methylsulfonyl)amino]phenyl}carbamoyl)- 2-methylphenyl]-1H-1,2,3-triazole- 4-carboxamide | A | 3CTQ | 0.74 | |
ET0 | 3-(5-methoxy-1H-indol-3-yl)propanoic acid | A,B | 3ET0 | 0.7 | |
4LG | METHYL (6-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)- 6-OXOPIPERAZIN-2-YL]METHOXY}-1H- INDOL-1-YL)ACETATE | A,B | 2G27 | 0.7 | |
AB2 | [1-((1S,2R)-1-BENZYL-2-HYDROXY- 3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL)- 1H-1,2,3-TRIAZOL-4-YL]METHYL (1R,2R)- 2-HYDROXY-2,3-DIHYDRO-1H-INDEN- 1-YLCARBAMATE | A | 1ZP8 | 0.73 | |
AB2 | [1-((1S,2R)-1-BENZYL-2-HYDROXY- 3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL)- 1H-1,2,3-TRIAZOL-4-YL]METHYL (1R,2R)- 2-HYDROXY-2,3-DIHYDRO-1H-INDEN- 1-YLCARBAMATE | A,B | 2HC0 | 0.73 | |
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 | 0.72 | |
4FR | 3'-chloro-5'-[6-({2-methoxy-4-[(1- methylpiperidin-4-yl)carbamoyl]phenyl}amino)- 3-methyl-1H-pyrazolo[4,3-c]pyridin- 1-yl]biphenyl-2-carboxamide | A | 3DBE | 0.71 | |
075 | A | 2PK5 | 0.71 | ||
6EA | (1S)-1-(1H-INDOL-3-YLMETHYL)-2- (2-PYRIDIN-4-YL-[1,7]NAPHTYRIDIN- 5-YLOXY)-EHYLAMINE | E | 2F7Z | 0.72 | |
I04 | N-{(3R,4R)-4-[4-(2-FLUORO-6-HYDROXY- 3-METHOXY-BENZOYL)-BENZOYLAMINO]- AZEPAN-3-YL}ISONICOTINAMIDE | A | 1SVG | 0.71 | |
BI5 | 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE | A | 1ZYJ | 0.7 | |
3LG | (5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)- 6-OXOPIPERAZIN-2-YL]METHOXY}-1H- INDOL-1-YL)ACETIC ACID | B | 2G26 | 0.73 | |
9IP | N~3~-[3-(5-METHOXYPYRIDIN-3-YL)BENZYL]PYRIDINE- 2,3-DIAMINE | A | 2OHS | 0.7 | |
4EA | (1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)- 2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE | E | 2F7X | 0.71 | |
A83 | TERT-BUTYL 4-[({[1-((1S,2R)-1-BENZYL- 2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL)- 1H-1,2,3-TRIAZOL-4-YL]METHYL}AMINO)CARBONYL]BENZYLCARBAMATE | A | 1ZPA | 0.73 | |
DIT | DITERCALINIUM | A | 1D32 | 0.71 | |
897 | N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]- N-ISOPROPYL-3-METHYL-5-{[(2S)-2- (PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE | B,H | 2UUK | 0.72 | |
232 | 1,3-DI[[[10-METHOXY-7H-PYRIDO[4,3- C]CARBAZOL-2-IUMYL]-ETHYL]-PIPERIDIN- 4-YL]-PROPANE | A | 1C9Z | 0.71 | |
896 | N-ETHYL-N-ISOPROPYL-3-METHYL-5- {[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE | B,H | 2UUJ | 0.71 |