Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01691139
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 |
IZ5 | N-{(1S)-2-{4-[(5S)-1,1-dioxido- 3-oxoisothiazolidin-5-yl]phenyl}- 1-[4-(3-phenylpropyl)-1H-imidazol- 2-yl]ethyl}-3-fluorobenzenesulfonamide | A | 2VEY | 0.71 | |
K88 | (3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7- TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)- 2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE | A,D | 2WEL | 0.73 | |
HA3 | N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2- a]pyrazin-7(8H)-yl)carbonyl]thiophene- 2-carboxamide | A,B | 2VQV | 0.7 | |
HA3 | N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2- a]pyrazin-7(8H)-yl)carbonyl]thiophene- 2-carboxamide | A | 2VQM | 0.7 | |
43B | 3-NITRO-N-{4-[2-(2-PHENYLETHYL)- 1,3-BENZOTHIAZOL-5-YL]BENZOYL}- 4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE | A | 2O21 | 0.71 | |
43B | 3-NITRO-N-{4-[2-(2-PHENYLETHYL)- 1,3-BENZOTHIAZOL-5-YL]BENZOYL}- 4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE | A | 2O1Y | 0.71 | |
43B | 3-NITRO-N-{4-[2-(2-PHENYLETHYL)- 1,3-BENZOTHIAZOL-5-YL]BENZOYL}- 4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE | A | 1YSN | 0.71 | |
43B | 3-NITRO-N-{4-[2-(2-PHENYLETHYL)- 1,3-BENZOTHIAZOL-5-YL]BENZOYL}- 4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE | A | 1YSW | 0.71 | |
UN8 | N-(4-{[3-BUTYL-1-(2-FLUOROBENZYL)- 2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H- PURIN-8-YL]METHYL}PHENYL)-1-METHYL- 1H-IMIDAZOLE-4-SULFONAMIDE | A,B | 2GMV | 0.7 | |
628 | 4-{[6-(2,6-DICHLOROBENZOYL)IMIDAZO[1,2- A]PYRIDIN-2-YL]AMINO}BENZENESULFONAMIDE | A | 1YKR | 0.71 | |
325 | N-{2,4-difluoro-3-[(5-pyridin-3- yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide | A | 3C4D | 0.74 | |
D13 | 4-[5-(3-IODO-PHENYL)-2-(4-METHANESULFINYL- PHENYL)-1H-IMIDAZOL-4-YL]-PYRIDINE | A | 1IAN | 0.73 | |
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 | 0.79 | |
BAK | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE | A | 1C2I | 0.74 | |
BAK | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE | A | 1C2J | 0.74 | |
BAK | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE | A | 1C2H | 0.74 | |
BAK | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE | A | 1C2D | 0.74 | |
BAK | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE | A | 1C2E | 0.74 | |
BAI | (5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE | H,I | 1C1U | 0.72 | |
BAI | (5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE | A | 1C1R | 0.72 | |
BAI | (5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE | A | 1C1P | 0.72 | |
BAI | (5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE | A | 1C1Q | 0.72 | |
NZO | nocodazole | A,B | 3EE2 | 0.81 | |
S79 | 6-amino-2-[(1-naphthylmethyl)amino]- 3,7-dihydro-8H-imidazo[4,5-g]quinazolin- 8-one | A | 2QZR | 0.72 | |
165 | N-(BENZYLSULFONYL)-3-CYCLOHEXYLALANYL- N-(2-AMINO-1,3-BENZOTHIAZOL-6-YL)PROLINAMIDE | H,I | 1SB1 | 0.71 | |
L0H | N-[3-(1H-BENZIMIDAZOL-2-YL)-1H- PYRAZOL-4-YL]BENZAMIDE | A | 2W1H | 0.71 | |
ABI | 5-AMIDINO-BENZIMIDAZOLE | A | 1C2K | 0.71 | |
SB2 | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL- PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE | A | 2EWA | 0.73 | |
SB2 | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL- PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE | A | 1A9U | 0.73 | |
SB2 | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL- PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE | A | 1PME | 0.73 | |
IZ1 | N-[(1S)-2-{4-[(5S)-1,1-dioxido- 3-oxoisothiazolidin-5-yl]phenyl}- 1-(4-phenyl-1H-imidazol-2-yl)ethyl]- 3-(trifluoromethyl)benzenesulfonamide | A | 2VEU | 0.74 | |
344 | 6-AMINO-3,7-DIHYDRO-IMIDAZO[4,5- G]QUINAZOLIN-8-ONE | A | 2BBF | 0.71 | |
AAI | trans-4-(7-carbamoyl-1H-benzimidazol- 2-yl)-1-propylpiperidinium | A | 2RCW | 0.77 | |
BGU | 2,6-diamino-1,7-dihydro-8H-imidazo[4,5- g]quinazolin-8-one | A | 2Z7K | 0.72 | |
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 | 0.79 | |
78P | (2R)-2-(7-carbamoyl-1H-benzimidazol- 2-yl)-2-methylpyrrolidinium | A | 2RD6 | 0.75 | |
BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1G9B | 0.72 | |
BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1G9C | 0.72 | |
BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1XUG | 0.72 | |
BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1G9A | 0.72 | |
BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1C1T | 0.72 | |
BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1G9D | 0.72 | |
BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | H,I | 1C1V | 0.72 | |
BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1C1S | 0.72 | |
BAB | BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE | A | 1XUK | 0.72 | |
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 | |
NEZ | 6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]- 1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN- 8-ONE | A | 1Y5W | 0.74 | |
DMD | 5,6-DIMETHYLBENZIMIDAZOLE | A | 1D0S | 0.72 | |
BAO | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE | A | 1XUH | 0.73 | |
BAO | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE | A | 1XUI | 0.73 | |
SBB | N-[2-(1H-INDOL-5-YL)-BUTYL]-4-SULFAMOYL- BENZAMIDE | A | 1IF9 | 0.72 | |
D2A | 2-(4'-AMIDINOBIPHENYL-4-YL)-1H- BENZIMIDAZOLE-5-AMIDINE | A | 2B0K | 0.72 | |
B18 | (4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)- 1,3-THIAZOL-2-YL]-4-METHYL-1-OXO- 2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE- 6-CARBOXAMIDE | A,B,C | 2PZY | 0.73 | |
L0F | N-[3-(1H-BENZIMIDAZOL-2-YL)-1H- PYRAZOL-4-YL]BENZAMIDE | A | 2W1F | 0.71 | |
324 | N-{3-[(5-chloro-1H-pyrrolo[2,3- b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane- 1-sulfonamide | A,B | 3C4C | 0.71 | |
C02 | 4-(5-BENZENESULFONYLAMINO-1-METHYL- 1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE | B,C | 1KTT | 0.75 | |
IZA | 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO- 7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE- 7-ONE | A | 3EYH | 0.71 | |
IZA | 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO- 7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE- 7-ONE | A,B | 2B7A | 0.71 | |
IZA | 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO- 7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE- 7-ONE | A,B | 2J90 | 0.71 | |
M1B | 2-{3'-[AMINO(IMINO)METHYL]BIPHENYL- 4-YL}-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE | A | 2I5A | 0.72 | |
5MB | 5-METHYLBENZIMIDAZOLE | A | 1JHM | 0.72 | |
AIQ | 2,6-DIAMINO-8-(1H-IMIDAZOL-2-YLSULFANYLMETHYL)- 3H-QUINAZOLINE-4-ONE | A | 1K4G | 0.7 | |
AIQ | 2,6-DIAMINO-8-(1H-IMIDAZOL-2-YLSULFANYLMETHYL)- 3H-QUINAZOLINE-4-ONE | A | 1Q63 | 0.7 | |
DB9 | 2-{4'-[AMINO(IMINO)METHYL]BIPHENYL- 3-YL}-1H-BENZIMIDAZOLE-6-CARBOXIMIDAMIDE | A,B | 2NLM | 0.72 | |
NE8 | 6-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO- 8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE | A | 1Y5V | 0.73 | |
FXG | N-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamide | A | 3DAJ | 0.74 | |
G37 | 2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO- METHYL)-5,5-DIMETHYL-THIAZOLIDINE- 4-CARBOXYLIC ACID 3-[(1H-BENZIMIDAZOL- 2-YLMETHYLCARBAMOYL)-1-BENZYL-2- HYDROXYPROPYL]-AMIDE | A | 1HTG | 0.7 | |
FR0 | N''-(4-(5-((1H-BENZIMIDAZOL-2-YLAMINO)METHYL)- 2-THIENYL)-1,3-THIAZOL-2-YL)GUANIDINE | A | 1NDV | 0.72 | |
SPP | (1-(5-METHANSULPHONAMIDO-1H-INDOL- 2-YL-CARBONYL)4-[METHYLAMINO)PYRIDINYL]PIPERAZINE | A | 1KLM | 0.72 | |
IZ2 | N-[(1S)-1-(4-benzyl-1H-imidazol- 2-yl)-2-{4-[(5S)-1,1-dioxido-3- oxoisothiazolidin-5-yl]phenyl}ethyl]- 3-(trifluoromethyl)benzenesulfonamide | A | 2VEV | 0.7 | |
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 | 0.72 | |
S98 | 6-amino-2-[(thiophen-2-ylmethyl)amino]- 1,7-dihydro-8H-imidazo[4,5-g]quinazolin- 8-one | A | 3C2Z | 0.76 | |
HT2 | 5-AMIDINO-2-[2-(4-AMIDINOPHENYL)- 5-BENZIMIDAZOLYL]BENZIMIDAZOLE | B | 311D | 0.71 | |
S60 | 6-amino-2-methyl-1,7-dihydro-8H- imidazo[4,5-g]quinazolin-8-one | A | 3C2Y | 0.71 | |
D1B | 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}- 2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE | A | 1VZK | 0.74 | |
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 |