Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03814772
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 |
CR8 | 2-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]- 1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA- 2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL- 5-OLATE | A,B,C,D | 2VVI | 0.71 | |
CR8 | 2-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]- 1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA- 2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL- 5-OLATE | A,B,C,D | 1ZUX | 0.71 | |
CR8 | 2-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]- 1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA- 2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL- 5-OLATE | A,B | 2DDD | 0.71 | |
CR8 | 2-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]- 1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA- 2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL- 5-OLATE | A,B | 2DDC | 0.71 | |
CR8 | 2-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]- 1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA- 2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL- 5-OLATE | A,B,C,D | 2VVH | 0.71 | |
CR8 | 2-[1-AMINO-2-(1H-IMIDAZOL-5-YL)ETHYL]- 1-(CARBOXYMETHYL)-4-[(4-OXOCYCLOHEXA- 2,5-DIEN-1-YLIDENE)METHYL]-1H-IMIDAZOL- 5-OLATE | A,B | 2GW3 | 0.71 | |
GVH | 1H-PYRROLO[2,3-B]PYRIDINE | A | 2UVX | 0.71 | |
SCE | 3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2- a]pyrazin-8-amine | A | 2R3H | 0.72 | |
C4E | N-phenyl-1H-pyrrolo[2,3-b]pyridin- 3-amine | A,B,C,D | 3C4E | 0.75 | |
MPI | IMIDAZO[1,2-A]PYRIDINE | A | 1AEM | 0.71 | |
223 | (3R,4R)-1-[(4-AMINO-5H-PYRROLO[3,2- D]PYRIMIDIN-7-YL)METHYL]-4-(HYDROXYMETHYL)PYRROLIDIN- 3-OL | A,B,C,D,E,F | 2ISC | 0.71 | |
BMI | 3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL- 1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN- 2-YLMETHYL)AMINO]PYRIDIN-2(1H)- ONE | A | 2OJ9 | 0.71 | |
HDU | N-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN- 3-YL)-2-PYRIMIDINYL]ACETAMIDE | A | 1OIQ | 0.72 | |
URO | (2E)-3-(1H-IMIDAZOL-4-YL)ACRYLIC ACID | A,B | 1W1U | 0.77 | |
URO | (2E)-3-(1H-IMIDAZOL-4-YL)ACRYLIC ACID | A,B | 1UWK | 0.77 | |
985 | (2E)-3-{3-[6-(4-methyl-1,4-diazepan- 1-yl)pyrazin-2-yl]phenyl}prop-2- enoic acid | A | 3F2A | 0.71 | |
STS | 2-[(1S)-1-BENZYL-2-SULFANYLETHYL]- 1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM | A | 1Y8J | 0.73 | |
TRM | 1H-BENOXIMIDAZOLE-2-CARBOXYLIC ACID | A | 1FQ4 | 0.7 | |
9DA | 9-DEAZAADENINE | A | 1L1R | 0.76 | |
9DA | 9-DEAZAADENINE | A | 1L1Q | 0.76 | |
120 | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | B | 1GI7 | 0.7 | |
120 | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | H,I | 1GHV | 0.7 | |
120 | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | A | 1GHZ | 0.7 | |
JNO | 2-{4-[(4-imidazo[1,2-a]pyridin- 3-ylpyrimidin-2-yl)amino]piperidin- 1-yl}-N-methylacetamide | A | 3CGO | 0.7 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A,B | 2D0T | 0.7 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1E9X | 0.7 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1PHD | 0.7 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A,B,C,D | 2RFC | 0.7 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1ODO | 0.7 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 3E5K | 0.7 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1PHE | 0.7 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A,B | 1F4T | 0.7 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1S1F | 0.7 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1PHF | 0.7 | |
G14 | 2-phenyl-1H-imidazole-4-carboxylic acid | A,B | 3GRJ | 0.74 | |
TRN | NZ2-TRYPTOPHAN | A,B,C | 1AM7 | 0.7 |