Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00405862
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 |
DF9 | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2- d]pyrimidin-7-yl)methyl]-4-[(benzylsulfanyl)methyl]pyrrolidin- 3-ol | A,B | 3DF9 | 0.72 |  |
AK2 | 1-(3-chlorophenyl)-3-{5-[2-(thieno[3,2- d]pyrimidin-4-ylamino)ethyl]-1,3- thiazol-2-yl}urea | A | 3D15 | 0.73 | |
CK8 | N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)- PYRIMIDIN-2-YL]-N',N'-DIMETHYL- BENZENE-1,4-DIAMINE | A,C | 2C5N | 0.73 | |
| CK8 | N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)- PYRIMIDIN-2-YL]-N',N'-DIMETHYL- BENZENE-1,4-DIAMINE | A | 1PXP | 0.73 | |
S98 | 6-amino-2-[(thiophen-2-ylmethyl)amino]- 1,7-dihydro-8H-imidazo[4,5-g]quinazolin- 8-one | A | 3C2Z | 0.74 | |
AK1 | 1-{5-[2-(thieno[3,2-d]pyrimidin- 4-ylamino)ethyl]-1,3-thiazol-2- yl}-3-[3-(trifluoromethyl)phenyl]urea | A | 3D14 | 0.72 | |
FRV | 4-{[4-(1-CYCLOPROPYL-2-METHYL-1H- IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}- N-METHYLBENZENESULFONAMIDE | A | 2W06 | 0.71 | |
CP9 | 3-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN- 1-YL)BENZYL]-3H-BENZOTHIAZOL-2- ONE | A | 1TV6 | 0.72 | |
VGD | 6-chloro-1H-benzimidazol-2-amine | A,B,C,D | 2WD7 | 0.72 | |
HT2 | 5-AMIDINO-2-[2-(4-AMIDINOPHENYL)- 5-BENZIMIDAZOLYL]BENZIMIDAZOLE | B | 311D | 0.75 | |
BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1G9B | 0.76 | |
| BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1G9C | 0.76 | |
| BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1XUG | 0.76 | |
| BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1G9A | 0.76 | |
| BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1C1T | 0.76 | |
| BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1G9D | 0.76 | |
| BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | H,I | 1C1V | 0.76 | |
| BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1C1S | 0.76 | |
| BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1XUK | 0.76 | |
L0D | 2-(1H-pyrazol-3-yl)-1H-benzimidazole | A | 2W1D | 0.73 | |
BBZ | 2'-(4-DIMETHYLAMINOPHENYL)-5-(4- METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | B | 447D | 0.74 | |
| BBZ | 2'-(4-DIMETHYLAMINOPHENYL)-5-(4- METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | B | 1QV8 | 0.74 | |
R11 | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL- 1-YLMETHYL)-1H-BENZOIMIDAZOL-2- YLMETHYL]-AMINO}-BENZAMIDINE | A | 1G2M | 0.77 | |
| R11 | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL- 1-YLMETHYL)-1H-BENZOIMIDAZOL-2- YLMETHYL]-AMINO}-BENZAMIDINE | B,C | 1G32 | 0.77 | |
| R11 | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL- 1-YLMETHYL)-1H-BENZOIMIDAZOL-2- YLMETHYL]-AMINO}-BENZAMIDINE | A | 1G36 | 0.77 | |
9DA | 9-DEAZAADENINE | A | 1L1R | 0.72 | |
| 9DA | 9-DEAZAADENINE | A | 1L1Q | 0.72 | |
QQQ | 1-(1-methylethyl)-1H-benzimidazole- 2-sulfonic acid | A,B,C,D | 3GNC | 0.73 | |
JN5 | (2S)-1,3-benzothiazol-2-yl{2-[(2- pyridin-3-ylethyl)amino]pyrimidin- 4-yl}ethanenitrile | A | 3CY3 | 0.72 | |
BAZ | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE ZINC | A | 1XUF | 0.7 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A,B | 2D0T | 0.71 | |
| PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1E9X | 0.71 | |
| PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1PHD | 0.71 | |
| PIM | 4-PHENYL-1H-IMIDAZOLE | A,B,C,D | 2RFC | 0.71 | |
| PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1ODO | 0.71 | |
| PIM | 4-PHENYL-1H-IMIDAZOLE | A | 3E5K | 0.71 | |
| PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1PHE | 0.71 | |
| PIM | 4-PHENYL-1H-IMIDAZOLE | A,B | 1F4T | 0.71 | |
| PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1S1F | 0.71 | |
| PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1PHF | 0.71 | |
OWL | N-1H-imidazol-2-yl-N'-[4-(1H-imidazol- 2-ylamino)phenyl]benzene-1,4-diamine | A,G | 3FSI | 0.74 | |
MBB | 2'-(3-METHYL-4-DIMETHYLAMINOPHENYL)- 5-(4-METHYL-1-PIPERAZINYL)-2,5'- BI-BENZIMIDAZOLE | B | 1QV4 | 0.73 | |
BAK | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE | A | 1C2I | 0.72 | |
| BAK | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE | A | 1C2J | 0.72 | |
| BAK | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE | A | 1C2H | 0.72 | |
| BAK | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE | A | 1C2D | 0.72 | |
| BAK | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE | A | 1C2E | 0.72 | |
IZE | N-{(1S)-2-{4-[(5R)-1,1-DIOXIDO- 3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}- 1-[5-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOL- 2-YL]ETHYL}-2,2,2-TRIFLUOROACETAMIDE | A | 2CNG | 0.7 | |
BAI | (5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE | H,I | 1C1U | 0.76 | |
| BAI | (5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE | A | 1C1R | 0.76 | |
| BAI | (5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE | A | 1C1P | 0.76 | |
| BAI | (5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE | A | 1C1Q | 0.76 | |
HA3 | N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2- a]pyrazin-7(8H)-yl)carbonyl]thiophene- 2-carboxamide | A,B | 2VQV | 0.71 | |
| HA3 | N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2- a]pyrazin-7(8H)-yl)carbonyl]thiophene- 2-carboxamide | A | 2VQM | 0.71 | |
DBN | 6-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)- 2-{5-[4-(4,5-DIHYDRO-1H-IMIDAZOL- 2-YL)PHENYL]THIEN-2-YL}-1H-BENZIMIDAZOLE | A | 2B3E | 0.84 | |
FR0 | N''-(4-(5-((1H-BENZIMIDAZOL-2-YLAMINO)METHYL)- 2-THIENYL)-1,3-THIAZOL-2-YL)GUANIDINE | A | 1NDV | 0.92 | |
F32 | (5S)-5-{4-[(2S)-2-(1H-BENZIMIDAZOL- 2-YL)-2-(1,3-BENZOTHIAZOL-2-YLAMINO)ETHYL]PHENYL}ISOTHIAZOLIDIN- 3-ONE 1,1-DIOXIDE | A | 2CNF | 0.75 | |
TMG | 2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLE | A | 1YVM | 0.84 | |
BMV | 3-BENZYL-1-(1H-IMIDAZOL-4-YLMETHYL)- 4-(THIEN-2-YLSULFONYL)-2,3,4,5- TETRAHYDRO-1H-1,4-BENZODIAZEPINE- 7-CARBONITRILE | B | 1SA5 | 0.73 | |
D2A | 2-(4'-AMIDINOBIPHENYL-4-YL)-1H- BENZIMIDAZOLE-5-AMIDINE | A | 2B0K | 0.72 | |
HDT | 4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN- 2-YL)AMINO]BENZENESULFONAMIDE | A | 1OIT | 0.72 | |
ABI | 5-AMIDINO-BENZIMIDAZOLE | A | 1C2K | 0.75 | |
SB2 | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL- PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE | A | 2EWA | 0.71 | |
| SB2 | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL- PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE | A | 1A9U | 0.71 | |
| SB2 | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL- PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE | A | 1PME | 0.71 | |
M1B | 2-{3'-[AMINO(IMINO)METHYL]BIPHENYL- 4-YL}-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE | A | 2I5A | 0.72 | |
N31 | N-[3-(1H-benzimidazol-1-yl)propanoyl]glycyl- L-alanyl-L-alaninamide | A | 3EXB | 0.73 | |
DB9 | 2-{4'-[AMINO(IMINO)METHYL]BIPHENYL- 3-YL}-1H-BENZIMIDAZOLE-6-CARBOXIMIDAMIDE | A,B | 2NLM | 0.72 | |
654 | 4-(2-THIENYL)-1-(4-METHYLBENZYL)- 1H-IMIDAZOLE | A,B | 1I2Z | 0.79 | |
C02 | 4-(5-BENZENESULFONYLAMINO-1-METHYL- 1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE | B,C | 1KTT | 0.72 | |
STS | 2-[(1S)-1-BENZYL-2-SULFANYLETHYL]- 1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM | A | 1Y8J | 0.73 | |
BIG | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2- d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin- 3-ol | A,C | 3DP9 | 0.7 | |
D13 | 4-[5-(3-IODO-PHENYL)-2-(4-METHANESULFINYL- PHENYL)-1H-IMIDAZOL-4-YL]-PYRIDINE | A | 1IAN | 0.71 | |
BZI | BENZIMIDAZOLE | A | 1RYC | 0.78 | |
| BZI | BENZIMIDAZOLE | A | 1L5F | 0.78 | |
| BZI | BENZIMIDAZOLE | A | 1KXM | 0.78 | |
DMD | 5,6-DIMETHYLBENZIMIDAZOLE | A | 1D0S | 0.73 | |
NZO | nocodazole | A,B | 3EE2 | 0.73 | |
D1B | 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}- 2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE | A | 1VZK | 0.84 | |
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 | |
5MB | 5-METHYLBENZIMIDAZOLE | A | 1JHM | 0.74 | |
BAO | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE | A | 1XUH | 0.72 | |
| BAO | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE | A | 1XUI | 0.72 | |