Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02129529
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 |
AD5 | N~6~-cyclohexyl-N~2~-(4-morpholin- 4-ylphenyl)-9H-purine-2,6-diamine | A,B | 2VGO | 0.74 |  |
M1B | 2-{3'-[AMINO(IMINO)METHYL]BIPHENYL- 4-YL}-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE | A | 2I5A | 0.71 | |
BZI | BENZIMIDAZOLE | A | 1RYC | 0.9 | |
| BZI | BENZIMIDAZOLE | A | 1L5F | 0.9 | |
| BZI | BENZIMIDAZOLE | A | 1KXM | 0.9 | |
IDZ | 3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLE | A | 2C3L | 0.71 | |
BBZ | 2'-(4-DIMETHYLAMINOPHENYL)-5-(4- METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | B | 447D | 0.72 | |
| BBZ | 2'-(4-DIMETHYLAMINOPHENYL)-5-(4- METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | B | 1QV8 | 0.72 | |
D2A | 2-(4'-AMIDINOBIPHENYL-4-YL)-1H- BENZIMIDAZOLE-5-AMIDINE | A | 2B0K | 0.71 | |
ABI | 5-AMIDINO-BENZIMIDAZOLE | A | 1C2K | 0.82 | |
GVH | 1H-PYRROLO[2,3-B]PYRIDINE | A | 2UVX | 0.71 | |
24A | {[(4-{[2-(4-AMINOCYCLOHEXYL)-9- ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID | A,B | 2BDF | 0.71 | |
L0D | 2-(1H-pyrazol-3-yl)-1H-benzimidazole | A | 2W1D | 0.77 | |
DMD | 5,6-DIMETHYLBENZIMIDAZOLE | A | 1D0S | 0.81 | |
OWL | N-1H-imidazol-2-yl-N'-[4-(1H-imidazol- 2-ylamino)phenyl]benzene-1,4-diamine | A,G | 3FSI | 0.72 | |
23D | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]- N6-(3-CHLOROPHENYL)-9-ETHYL-9H- PURINE-2,6-DIAMINE | A | 2IZT | 0.71 | |
| 23D | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]- N6-(3-CHLOROPHENYL)-9-ETHYL-9H- PURINE-2,6-DIAMINE | A | 2CDZ | 0.71 | |
| 23D | N2-[(1R,2S)-2-AMINOCYCLOHEXYL]- N6-(3-CHLOROPHENYL)-9-ETHYL-9H- PURINE-2,6-DIAMINE | A,B | 2F57 | 0.71 | |
BAK | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE | A | 1C2I | 0.7 | |
| BAK | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE | A | 1C2J | 0.7 | |
| BAK | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE | A | 1C2H | 0.7 | |
| BAK | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE | A | 1C2D | 0.7 | |
| BAK | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE | A | 1C2E | 0.7 | |
BAO | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE | A | 1XUH | 0.71 | |
| BAO | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE | A | 1XUI | 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 | |
GVJ | (S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE | A | 2UVZ | 0.75 | |
JNF | N-cyclohexyl-4-imidazo[1,2-a]pyridin- 3-yl-N-methylpyrimidin-2-amine | A | 3CGF | 0.7 | |
TRM | 1H-BENOXIMIDAZOLE-2-CARBOXYLIC ACID | A | 1FQ4 | 0.76 | |
7I2 | 7-NITROINDAZOLE-2-CARBOXAMIDINE | A,B | 1FOJ | 0.72 | |
5MB | 5-METHYLBENZIMIDAZOLE | A | 1JHM | 0.83 | |
HDU | N-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN- 3-YL)-2-PYRIMIDINYL]ACETAMIDE | A | 1OIQ | 0.72 | |
1MS | N-[(4-methylpyrimidin-2-yl)carbamoyl]- 2-nitrobenzenesulfonamide | A | 3E9Y | 0.71 | |
QQQ | 1-(1-methylethyl)-1H-benzimidazole- 2-sulfonic acid | A,B,C,D | 3GNC | 0.73 | |
344 | 6-AMINO-3,7-DIHYDRO-IMIDAZO[4,5- G]QUINAZOLIN-8-ONE | A | 2BBF | 0.71 | |
GVI | N-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE | A | 2UVY | 0.77 | |
BAI | (5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE | H,I | 1C1U | 0.74 | |
| BAI | (5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE | A | 1C1R | 0.74 | |
| BAI | (5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE | A | 1C1P | 0.74 | |
| BAI | (5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE | A | 1C1Q | 0.74 | |
DB9 | 2-{4'-[AMINO(IMINO)METHYL]BIPHENYL- 3-YL}-1H-BENZIMIDAZOLE-6-CARBOXIMIDAMIDE | A,B | 2NLM | 0.71 | |
120 | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | B | 1GI7 | 0.73 | |
| 120 | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | H,I | 1GHV | 0.73 | |
| 120 | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | A | 1GHZ | 0.73 | |
GIQ | 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN- 2-AMINE | A | 2Z2G | 0.72 | |
| GIQ | 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN- 2-AMINE | A | 2Z2H | 0.72 | |
| GIQ | 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN- 2-AMINE | A | 2HKC | 0.72 | |
CK7 | [4-(2-AMINO-4-METHYL-THIAZOL-5- YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)- AMINE | A | 1PXO | 0.74 | |
| CK7 | [4-(2-AMINO-4-METHYL-THIAZOL-5- YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)- AMINE | A,C | 2C5P | 0.74 | |
VGD | 6-chloro-1H-benzimidazol-2-amine | A,B,C,D | 2WD7 | 0.79 | |
MBB | 2'-(3-METHYL-4-DIMETHYLAMINOPHENYL)- 5-(4-METHYL-1-PIPERAZINYL)-2,5'- BI-BENZIMIDAZOLE | B | 1QV4 | 0.71 | |
HDT | 4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN- 2-YL)AMINO]BENZENESULFONAMIDE | A | 1OIT | 0.72 | |
TMG | 2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLE | A | 1YVM | 0.75 | |
I17 | 2-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]- 6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE | A | 1G5S | 0.7 | |
EMU | N-BENZYL-9H-PURIN-6-AMINE | A | 1W1S | 0.76 | |
FXG | N-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamide | A | 3DAJ | 0.7 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A,B | 2D0T | 0.77 | |
| PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1E9X | 0.77 | |
| PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1PHD | 0.77 | |
| PIM | 4-PHENYL-1H-IMIDAZOLE | A,B,C,D | 2RFC | 0.77 | |
| PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1ODO | 0.77 | |
| PIM | 4-PHENYL-1H-IMIDAZOLE | A | 3E5K | 0.77 | |
| PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1PHE | 0.77 | |
| PIM | 4-PHENYL-1H-IMIDAZOLE | A,B | 1F4T | 0.77 | |
| PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1S1F | 0.77 | |
| PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1PHF | 0.77 | |
9DA | 9-DEAZAADENINE | A | 1L1R | 0.81 | |
| 9DA | 9-DEAZAADENINE | A | 1L1Q | 0.81 | |
N31 | N-[3-(1H-benzimidazol-1-yl)propanoyl]glycyl- L-alanyl-L-alaninamide | A | 3EXB | 0.77 | |
STS | 2-[(1S)-1-BENZYL-2-SULFANYLETHYL]- 1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM | A | 1Y8J | 0.75 | |
5OB | 5-METHOXYBENZIMIDAZOLE | A | 1JHP | 0.71 | |
APJ | N~2~-1H-benzimidazol-5-yl-N~4~- (3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine- 2,4-diamine | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 3FBV | 0.72 | |
CPZ | 4-(4-CHLOROPHENYL)IMIDAZOLE | A | 1SUO | 0.73 | |
C4E | N-phenyl-1H-pyrrolo[2,3-b]pyridin- 3-amine | A,B,C,D | 3C4E | 0.76 | |
BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1G9B | 0.73 | |
| BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1G9C | 0.73 | |
| BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1XUG | 0.73 | |
| BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1G9A | 0.73 | |
| BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1C1T | 0.73 | |
| BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1G9D | 0.73 | |
| BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | H,I | 1C1V | 0.73 | |
| BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1C1S | 0.73 | |
| BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1XUK | 0.73 | |
R11 | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL- 1-YLMETHYL)-1H-BENZOIMIDAZOL-2- YLMETHYL]-AMINO}-BENZAMIDINE | A | 1G2M | 0.71 | |
| R11 | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL- 1-YLMETHYL)-1H-BENZOIMIDAZOL-2- YLMETHYL]-AMINO}-BENZAMIDINE | B,C | 1G32 | 0.71 | |
| R11 | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL- 1-YLMETHYL)-1H-BENZOIMIDAZOL-2- YLMETHYL]-AMINO}-BENZAMIDINE | A | 1G36 | 0.71 | |
P29 | 4-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)- 2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE- 8-CARBONITRILE | A | 2PVM | 0.73 | |
HT2 | 5-AMIDINO-2-[2-(4-AMIDINOPHENYL)- 5-BENZIMIDAZOLYL]BENZIMIDAZOLE | B | 311D | 0.71 | |
K17 | 4,5,6,7-TETRABROMO-BENZIMIDAZOLE | A,B | 2OXY | 0.72 | |
BAH | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATE | A | 1C2G | 0.71 | |
| BAH | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATE | A | 1C2F | 0.71 | |
| BAH | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATE | H,I,L | 1C1W | 0.71 | |
MPI | IMIDAZO[1,2-A]PYRIDINE | A | 1AEM | 0.75 | |