Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02809118
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 |
737 | N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)- BUTYL]-2-{6-OXO-5-[(QUINOLIN-8- YLMETHYL)-AMINO]-2-M-TOLYL-6H-PYRIMIDIN- 1-YL}-ACETAMIDE | A | 1ZTL | 0.73 | |
AUP | 2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7- TETRAHYDRO-2H-ISOPHOSPHINDOL-1- YL)PYRIDINE | A | 2AAQ | 0.7 | |
TOT | 1,1-(4,4,8,8-TETRAMETHYL-4,8-DIAZAUNDECAMETHYLENE)- BIS-4-3-METHYL-2,3-DIHYDRO-(BENZO- 1,3-THIAZOLE)-2-METHYLIDENE)-QUINOLINIUM | A | 108D | 0.81 | |
047 | 1-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)- 1H-INDOL-3-YL]METHYL}METHANAMINE | A,B | 2PJL | 0.75 | |
NPM | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.71 | |
N8T | N-[8-(1,2,3,4-TETRAHYDROACRIDIN- 9-YLTHIO)OCTYL]-1,2,3,4-TETRAHYDROACRIDIN- 9-AMINE | A | 2CEK | 0.74 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B,D,H | 2IUQ | 0.7 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A,B | 2FPB | 0.7 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | D,H | 2AGW | 0.7 | |
TSS | 2-(1H-INDOL-3-YL)ETHANAMINE | A | 2PQL | 0.7 | |
MM0 | N,N'-(dibenzo[b,j][1,7]phenanthroline- 2,10-diyldimethanediyl)dipropan- 1-amine | B | 2JWQ | 0.72 | |
3NA | {3-[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL- 2-YL)METHYL]-1H-INDOL-1-YL}ACETIC ACID | A | 1Z3N | 0.72 | |
CK4 | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)- N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN- 2-AMINE | A | 1PXL | 0.72 | |
CK4 | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)- N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN- 2-AMINE | A,C,F,H | 2C5V | 0.72 | |
107 | 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL- 8-YLMETHYL)-AMINO]-N-PYRIDIN-2- YL-BENZENESULFONAMIDE | A,C | 1FVV | 0.71 | |
PR2 | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2- OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN- 2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE | A | 1F0S | 0.7 | |
AK1 | 1-{5-[2-(thieno[3,2-d]pyrimidin- 4-ylamino)ethyl]-1,3-thiazol-2- yl}-3-[3-(trifluoromethyl)phenyl]urea | A | 3D14 | 0.71 | |
815 | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1- (1-AMINO-ISOQUINOLIN-7-YLMETHYL)- 2-OXO-PYRROLDIN-3-YL]-AMIDE | A | 1F0R | 0.73 | |
B97 | (10R)-10-methyl-3-(6-methylpyridin- 3-yl)-9,10,11,12-tetrahydro-8H- [1,4]diazepino[5',6':4,5]thieno[3,2- f]quinolin-8-one | X | 3FYJ | 0.74 | |
L12 | 3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE | A | 1W84 | 0.72 | |
SX8 | 6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3- b]pyridazin-3-yl]sulfanyl}quinoline | A | 3DKG | 0.71 | |
SX8 | 6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3- b]pyridazin-3-yl]sulfanyl}quinoline | A | 3DKF | 0.71 | |
D26 | PHENYL-5-(1H-PYRAZOL-3-YL)-1,3- THIAZOLE | A,B,C,D | 2VCX | 0.71 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGY | 0.7 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AH0 | 0.7 | |
TSH | 2-(1H-INDOL-3-YL)ETHANIMINE | D,H | 2AGX | 0.7 | |
ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | B | 1C5Y | 0.73 | |
ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5U | 0.73 | |
ESP | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5T | 0.73 | |
IQP | 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE | E | 1YDR | 0.71 | |
JN5 | (2S)-1,3-benzothiazol-2-yl{2-[(2- pyridin-3-ylethyl)amino]pyrimidin- 4-yl}ethanenitrile | A | 3CY3 | 0.79 |