Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01825339
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 |
U66 | (20S)-19,20,22,23-TETRAHYDRO-19- OXO-5H,21H-18,20-ETHANO-12,14-ETHENO- 6,10-METHENOBENZ[D]IMIDAZO[4,3- L][1,6,9,13]OXATRIAZACYCLONOADECOSINE- 9-CARBONITRILE | B | 1LD7 | 0.71 | |
BZC | A | 1EFY | 0.71 | ||
BZ9 | N-[3-methyl-4-({3-[2-(methylamino)pyrimidin- 4-yl]pyridin-2-yl}oxy)naphthalen- 1-yl]-1H-benzimidazol-2-amine | A | 3DA6 | 0.72 | |
979 | 5,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3- D]PYRIMIDIN-4-AMINE | A | 2OF4 | 0.72 | |
1N8 | N-{2-[(N,N-DIETHYLGLYCYL)AMINO]- 5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL- 3-[2-(METHYLAMINO)QUINAZOLIN-6- YL]BENZAMIDE | A,B | 2OG8 | 0.71 | |
FR4 | 1-((1R)-1-(HYDROXYMETHYL)-3-{6- [(3-PHENYLPROPANOYL)AMINO]-1H-INDOL- 1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | A | 1UML | 0.73 | |
COP | N-(4-CARBOXY-4-{4-[(2,4-DIAMINO- PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}- BUTYL)-PHTHALAMIC ACID | A | 1OHJ | 0.71 | |
COP | N-(4-CARBOXY-4-{4-[(2,4-DIAMINO- PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}- BUTYL)-PHTHALAMIC ACID | A | 1OHK | 0.71 | |
JNJ | 1-(3-amino-1,2-benzisoxazol-5-yl)- 6-(4-{2-[(dimethylamino)methyl]- 1H-imidazol-1-yl}-2-fluorophenyl)- 7-fluoro-1H-indazole-3-carboxamide | A | 2RA0 | 0.81 | |
693 | 2-(5-{5-[AMINO(IMINIO)METHYL]-1H- BENZIMIDAZOL-2-YL}-2'-FLUORO-6- OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE | A | 1O30 | 0.72 | |
VX1 | 4-[3-(4-chlorophenyl)-2,1-benzisoxazol- 5-yl]pyrimidin-2-amine | A | 3BGP | 0.77 | |
GS2 | 2-[(2-{[1-(N,N-dimethylglycyl)- 5-methoxy-1H-indol-6-yl]amino}- 7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]- 6-fluoro-N-methylbenzamide | A | 3EKK | 0.72 | |
S79 | 6-amino-2-[(1-naphthylmethyl)amino]- 3,7-dihydro-8H-imidazo[4,5-g]quinazolin- 8-one | A | 2QZR | 0.75 | |
IFC | N-[2-methyl-5-({[3-(4-methyl-1H- imidazol-1-yl)-5-(trifluoromethyl)phenyl]carbonyl}amino)phenyl]isoxazole- 5-carboxamide | A | 3DZQ | 0.78 | |
A96 | 6-chloro-N-pyrimidin-5-yl-3-{[3- (trifluoromethyl)phenyl]amino}- 1,2-benzisoxazole-7-carboxamide | A,B | 3DTW | 0.74 | |
607 | 2-(2'-AMINO-5-{5-[AMINO(IMINIO)METHYL]- 1H-BENZIMIDAZOL-2-YL}-6-OXIDO-1,1'- BIPHENYL-3-YL)SUCCINATE | A | 1O36 | 0.74 | |
C24 | 3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)- METHYL]-3-METHYL-3H-BENZOIMIDAZOLE- 5-CARBONYL}-PYRIDIN-2-YL-AMINO)- PROPIONIC ACID ETHYL ESTER | B,C | 1KTS | 0.72 | |
1FR | 3-[3-chloro-5-(5-{[(1S)-1-phenylethyl]amino}isoxazolo[5,4- c]pyridin-3-yl)phenyl]propan-1- ol | A | 3DB8 | 0.71 | |
547 | 2,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3- B]PYRIDIN-4-AMINE | A | 2OF2 | 0.71 | |
859 | 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN- 4-YL}AMINO)BENZAMIDE | A,B | 2NO3 | 0.71 | |
FR9 | 1-[(1R)-3-(6-{[(BENZYLAMINO)CARBONYL]AMINO}- 1H-INDOL-1-YL)-1-(HYDROXYMETHYL)PROPYL]- 1H-IMIDAZOLE-4-CARBOXAMIDE | A | 1O5R | 0.71 | |
IK8 | 1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)- N-(4-{2-[(DIMETHYLAMINO)METHYL]- 1H-IMIDAZOL-1-YL}-2-FLUOROPHENYL)- 3-(TRIFLUOROMETHYL)-1H-PYRAZOLE- 5-CARBOXAMIDE | A | 1Z6E | 0.78 | |
C1B | H | 2B7D | 0.71 | ||
NEZ | 6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]- 1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN- 8-ONE | A | 1Y5W | 0.73 | |
653 | 5-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]- 1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL- 2-OLATE | A | 1O38 | 0.71 | |
653 | 5-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]- 1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL- 2-OLATE | A | 1O37 | 0.71 | |
E89 | 6-AMINO-4-[2-(4-METHOXYPHENYL)ETHYL]- 1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN- 8-ONE | A,D | 1Y5X | 0.77 | |
780 | 3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | A | 1O39 | 0.7 | |
780 | 3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | A | 1O3D | 0.7 | |
780 | 3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | A | 1O3C | 0.7 | |
780 | 3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | A | 1O3A | 0.7 | |
780 | 3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | A | 1O3B | 0.7 | |
NE8 | 6-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO- 8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE | A | 1Y5V | 0.73 | |
1BM | 3-{[2-(1H-BENZIMIDAZOL-1-YL)-6- {[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN- 4-YL]AMINO}-4-METHYLPHENOL | A | 2HK5 | 0.7 | |
FR8 | 1-((1R)-1-(HYDROXYMETHYL)-3-{6- [(5-PHENYLPENTANOYL)AMINO]-1H-INDOL- 1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | A | 1QXL | 0.73 | |
FR5 | 1-((1R)-1-(HYDROXYMETHYL)-3-(6- ((3-(1-METHYL-1H-BENZIMIDAZOL-2- YL)PROPANOYL)AMINO)-1H-INDOL-1- YL)PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | A | 1NDZ | 0.71 | |
U49 | (20S)-19,20,21,22-TETRAHYDRO-19- OXO-5H-18,20-ETHANO-12,14-ETHENO- 6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3- K][1,6,9,12]OXATRIAZA-CYCLOOCTADECOSINE- 9-CARBONITRILE | A,B | 1LD8 | 0.72 | |
SU9 | (3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)- 5-METHOXY-1H-INDOL-2(3H)-ONE | A | 1PF8 | 0.7 | |
5MR | NALPHA-{(2S)-3-[(S)-HYDROXY(PHENYL)PHOSPHORYL]- 2-[(3-PHENYLISOXAZOL-5-YL)METHYL]PROPANOYL}- L-TRYPTOPHANAMIDE | A,B | 2OVZ | 0.74 |