Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03240614
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 |
GW3 | 7-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2- F]QUINAZOLINE-1,3-DIAMINE | A,B | 1AOE | 0.71 | |
D94 | 3-[cis-3-(4-methylpiperazin-1-yl)cyclobutyl]- 1-(2-phenylquinolin-7-yl)imidazo[1,5- a]pyrazin-8-amine | A | 3D94 | 0.72 | |
BAK | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE | A | 1C2I | 0.75 | |
BAK | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE | A | 1C2J | 0.75 | |
BAK | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE | A | 1C2H | 0.75 | |
BAK | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE | A | 1C2D | 0.75 | |
BAK | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE | A | 1C2E | 0.75 | |
C24 | 3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)- METHYL]-3-METHYL-3H-BENZOIMIDAZOLE- 5-CARBONYL}-PYRIDIN-2-YL-AMINO)- PROPIONIC ACID ETHYL ESTER | B,C | 1KTS | 0.74 | |
IDD | (5R,6R,7S,8S)-5-(HYDROXYMETHYL)- 2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2- A]PYRIDINE-6,7,8-TRIOL | A | 1X38 | 0.72 | |
IDD | (5R,6R,7S,8S)-5-(HYDROXYMETHYL)- 2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2- A]PYRIDINE-6,7,8-TRIOL | A | 1LQ2 | 0.72 | |
PIQ | 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5- B]PYRIDINE | A,B | 2QXM | 0.77 | |
PIQ | 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5- B]PYRIDINE | A | 1HZ0 | 0.77 | |
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 | |
I24 | 2-butoxy-9-(2,6-difluorobenzyl)- N-(2-morpholin-4-ylethyl)-9H-purin- 6-amine | A,B | 2VVT | 0.74 | |
L0E | 4-[(2-{4-[(PHENYLCARBAMOYL)AMINO]- 1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL- 5-YL)METHYL]MORPHOLIN-4-IUM | A | 2W1E | 0.73 | |
HAN | 2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE- 1-PENTANOIC ACID | B,D,E,H | 1Y18 | 0.88 | |
HAN | 2-AMINO-5,6-DIMETHYL-BENZIMIDAZOLE- 1-PENTANOIC ACID | A,D,E,F,H | 1Y0L | 0.88 | |
DBI | PHOSPHORIC ACID MONO-[5-(5,6-DIMETHYL- BENZOIMIDAZOL-1-YL)-4-HYDROXY-2- HYDROXYMETHYL-TETRAHYDRO-FURAN- 3-YL] ESTER | A | 1ID8 | 0.78 | |
MQU | 7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]- 7H-PYRROLO[3,2-F] QUINAZOLINE-1,3- DIAMINE | A,B | 1M7A | 0.76 | |
BAH | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATE | A | 1C2G | 0.75 | |
BAH | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATE | A | 1C2F | 0.75 | |
BAH | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATE | H,I,L | 1C1W | 0.75 | |
QQQ | 1-(1-methylethyl)-1H-benzimidazole- 2-sulfonic acid | A,B,C,D | 3GNC | 0.74 | |
MBZ | 1-[2-DEOXYRIBOFURANOSYL]-4-METHYL- BENZOIMIDAZOLE-5'-MONOPHOSPHATE | 1,2 | 1EEK | 0.74 | |
OLO | OLOMOUCINE | A | 4ERK | 0.75 | |
OLO | OLOMOUCINE | C | 1W0X | 0.75 | |
FR4 | 1-((1R)-1-(HYDROXYMETHYL)-3-{6- [(3-PHENYLPROPANOYL)AMINO]-1H-INDOL- 1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | A | 1UML | 0.7 | |
HT2 | 5-AMIDINO-2-[2-(4-AMIDINOPHENYL)- 5-BENZIMIDAZOLYL]BENZIMIDAZOLE | B | 311D | 0.72 | |
MBB | 2'-(3-METHYL-4-DIMETHYLAMINOPHENYL)- 5-(4-METHYL-1-PIPERAZINYL)-2,5'- BI-BENZIMIDAZOLE | B | 1QV4 | 0.74 | |
BAI | (5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE | H,I | 1C1U | 0.73 | |
BAI | (5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE | A | 1C1R | 0.73 | |
BAI | (5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE | A | 1C1P | 0.73 | |
BAI | (5-AMIDINO-2-BENZIMIDAZOLYL)(2- BENZIMIDAZOLYL)METHANE | A | 1C1Q | 0.73 | |
GVI | N-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE | A | 2UVY | 0.7 | |
SB5 | 4-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL- 5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE | A | 1BMK | 0.71 | |
BZI | BENZIMIDAZOLE | A | 1RYC | 0.71 | |
BZI | BENZIMIDAZOLE | A | 1L5F | 0.71 | |
BZI | BENZIMIDAZOLE | A | 1KXM | 0.71 | |
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 | 0.7 | |
ABI | 5-AMIDINO-BENZIMIDAZOLE | A | 1C2K | 0.76 | |
DMD | 5,6-DIMETHYLBENZIMIDAZOLE | A | 1D0S | 0.8 | |
356 | 8-[(3R)-3-Aminopiperidin-1-yl]- 7-but-2-yn-1-yl-3-methyl-1-[(4- methylquinazolin-2-yl)methyl]-3,7- dihydro-1H-purine-2,6-dione | A,B | 2RGU | 0.71 | |
T87 | [(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)- METHYL]-1-METHYL-1H-BENZOIMIDAZOL- 5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL- METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER | B,C | 1G30 | 0.79 | |
T87 | [(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)- METHYL]-1-METHYL-1H-BENZOIMIDAZOL- 5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL- METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER | A | 1G2L | 0.79 | |
T87 | [(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)- METHYL]-1-METHYL-1H-BENZOIMIDAZOL- 5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL- METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER | A | 1OYQ | 0.79 | |
7AC | 7-(aminomethyl)-6-(2-chlorophenyl)- 1-methyl-1H-benzimidazole-5-carbonitrile | A,B,C,D | 3CCC | 0.74 | |
RMB | N1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5- METHYLBENZIMIDAZOLE | A | 1JHO | 0.76 | |
RMC | (2R)-2-({6-[BENZYL(METHYL)AMINO]- 9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN- 1-OL | A | 1YGJ | 0.73 | |
SC9 | 6-(2-fluorophenyl)-N-(pyridin-3- ylmethyl)imidazo[1,2-a]pyrazin- 8-amine | A | 2R3G | 0.7 | |
AAI | trans-4-(7-carbamoyl-1H-benzimidazol- 2-yl)-1-propylpiperidinium | A | 2RCW | 0.72 | |
N31 | N-[3-(1H-benzimidazol-1-yl)propanoyl]glycyl- L-alanyl-L-alaninamide | A | 3EXB | 0.76 | |
R11 | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL- 1-YLMETHYL)-1H-BENZOIMIDAZOL-2- YLMETHYL]-AMINO}-BENZAMIDINE | A | 1G2M | 0.78 | |
R11 | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL- 1-YLMETHYL)-1H-BENZOIMIDAZOL-2- YLMETHYL]-AMINO}-BENZAMIDINE | B,C | 1G32 | 0.78 | |
R11 | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL- 1-YLMETHYL)-1H-BENZOIMIDAZOL-2- YLMETHYL]-AMINO}-BENZAMIDINE | A | 1G36 | 0.78 | |
A91 | 3-({2-[(2-AMINO-6-METHYLPYRIMIDIN- 4-YL)ETHYNYL]BENZYL}AMINO)-1,3- OXAZOL-2(3H)-ONE | A | 2QG2 | 0.7 | |
AD5 | N~6~-cyclohexyl-N~2~-(4-morpholin- 4-ylphenyl)-9H-purine-2,6-diamine | A,B | 2VGO | 0.7 | |
L0G | 2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]- 1H-PYRAZOL-3-YL}-6-(MORPHOLIN-4- IUM-4-YLMETHYL)-1H-3,1-BENZIMIDAZOL- 3-IUM | A | 2W1G | 0.72 | |
FR2 | 1-((1R)-1-(HYDROXYMETHYL)-3-PHENYLPROPYL)- 1H-IMIDAZOLE-4-CARBOXAMIDE | A | 1NDW | 0.71 | |
DB9 | 2-{4'-[AMINO(IMINO)METHYL]BIPHENYL- 3-YL}-1H-BENZIMIDAZOLE-6-CARBOXIMIDAMIDE | A,B | 2NLM | 0.74 | |
FTB | N-{4-[1-(2-FLUOROBENZYL)-3-BUTYL- 2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H- PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE | A | 1NHX | 0.71 | |
5MB | 5-METHYLBENZIMIDAZOLE | A | 1JHM | 0.78 | |
FR9 | 1-[(1R)-3-(6-{[(BENZYLAMINO)CARBONYL]AMINO}- 1H-INDOL-1-YL)-1-(HYDROXYMETHYL)PROPYL]- 1H-IMIDAZOLE-4-CARBOXAMIDE | A | 1O5R | 0.71 | |
T50 | 1-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUOROPHENYL)- 4-METHYL-1H-BENZIMIDAZOLE | A | 2B6A | 0.76 | |
S48 | METHYL N-{(3S)-1-[(1-METHYL-1H- IMIDAZOL-5-YL)METHYL]-6-PHENYL- 1,2,3,4-TETRAHYDROQUINOLIN-3-YL}- N-[(1-METHYL-1H-IMIDAZOL-4-YL)SULFONYL]GLYCINATE | A,B | 2IEJ | 0.72 | |
BAO | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE | A | 1XUH | 0.75 | |
BAO | BIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONE | A | 1XUI | 0.75 | |
SCE | 3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2- a]pyrazin-8-amine | A | 2R3H | 0.71 | |
RBZ | ALPHA-RIBAZOLE-5'-PHOSPHATE | A | 1D0V | 0.78 | |
RBZ | ALPHA-RIBAZOLE-5'-PHOSPHATE | A | 1L4E | 0.78 | |
FR8 | 1-((1R)-1-(HYDROXYMETHYL)-3-{6- [(5-PHENYLPENTANOYL)AMINO]-1H-INDOL- 1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | A | 1QXL | 0.7 | |
VGF | 1-(3,4-DICHLOROBENZYL)-7-PHENYL- 1H-BENZIMIDAZOL-2-AMINE | A,B,C,D | 2WD8 | 0.74 | |
120 | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | B | 1GI7 | 0.74 | |
120 | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | H,I | 1GHV | 0.74 | |
120 | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | A | 1GHZ | 0.74 | |
RC8 | (2R)-2-({9-(1-methylethyl)-6-[(4- pyridin-2-ylbenzyl)amino]-9H-purin- 2-yl}amino)butan-1-ol | A,C | 3DDP | 0.74 | |
TSX | N-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO- 2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)- PHENYL]-ACETAMIDE | A | 1M51 | 0.73 | |
CKR | 6-amino-2-[(2-morpholin-4-ylethyl)amino]- 3,7-dihydro-8H-imidazo[4,5-g]quinazolin- 8-one | A | 3C2N | 0.72 | |
2IG | 6-ETHYL-5-[9-(3-METHOXYPROPYL)- 9H-CARBAZOL-2-YL]PYRIMIDINE-2,4- DIAMINE | A,B | 2G1O | 0.75 | |
TAB | ACETIC ACID N-[2-CHLORO-5-[6-ETHYL- 2,4-DIAMINO-PYRIMID-5-YL]-PHENYL]- [BENZYL-TRIAZEN-3-YL]ETHYL ESTER | A | 1VJ3 | 0.73 | |
SC3 | 7-BENZYL-1,3-DIMETHYL-8-PIPERAZIN- 1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE | A,B,C,D | 2AJ8 | 0.7 | |
78P | (2R)-2-(7-carbamoyl-1H-benzimidazol- 2-yl)-2-methylpyrrolidinium | A | 2RD6 | 0.71 | |
G14 | 2-phenyl-1H-imidazole-4-carboxylic acid | A,B | 3GRJ | 0.72 | |
251 | N-[amino(imino)methyl]-2-(2,5-diphenyl- 1H-pyrrol-1-yl)acetamide | A | 2QU2 | 0.71 | |
C02 | 4-(5-BENZENESULFONYLAMINO-1-METHYL- 1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE | B,C | 1KTT | 0.72 | |
IMK | 2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL- 1-BENZIMIDAZOLE | A | 1XKX | 0.74 | |
L1B | 7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM | A,B | 2G21 | 0.7 | |
55F | N-[4-(5-fluoro-6-methylpyridin- 2-yl)-5-quinoxalin-6-yl-1H-imidazol- 2-yl]acetamide | A,B,C,D,E | 3FAA | 0.71 | |
L0I | 4-[(2-{4-[(CYCLOPROPYLCARBAMOYL)AMINO]- 1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL- 6-YL)METHYL]MORPHOLIN-4-IUM | A,B | 2W1I | 0.72 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A,B | 2D0T | 0.72 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1E9X | 0.72 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1PHD | 0.72 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A,B,C,D | 2RFC | 0.72 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1ODO | 0.72 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 3E5K | 0.72 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1PHE | 0.72 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A,B | 1F4T | 0.72 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1S1F | 0.72 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1PHF | 0.72 | |
IZZ | (2S)-2-{[3-(3-aminophenyl)imidazo[1,2- b]pyridazin-6-yl]amino}-3-methylbutan- 1-ol | A | 3F2N | 0.74 | |
89I | 5-[4-(DIMETHYLAMINO)PHENYL]-6-[(6- MORPHOLIN-4-YLPYRIDIN-3-YL)ETHYNYL]PYRIMIDIN- 4-AMINE | A,B | 2I6B | 0.72 | |
KSL | N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5- a]pyrazin-8-amine | A | 2ZYB | 0.73 | |
1RB | 1-ALPHA-D-RIBOFURANOSYL-BENZIMIAZOLE- 5'-PHOSPHATE | A | 1L5K | 0.7 | |
D2A | 2-(4'-AMIDINOBIPHENYL-4-YL)-1H- BENZIMIDAZOLE-5-AMIDINE | A | 2B0K | 0.74 | |
GIQ | 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN- 2-AMINE | A | 2Z2G | 0.75 | |
GIQ | 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN- 2-AMINE | A | 2Z2H | 0.75 | |
GIQ | 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN- 2-AMINE | A | 2HKC | 0.75 | |
TRM | 1H-BENOXIMIDAZOLE-2-CARBOXYLIC ACID | A | 1FQ4 | 0.77 | |
RRC | R-ROSCOVITINE | A,B,C,D | 3DDQ | 0.73 | |
RRC | R-ROSCOVITINE | A | 1YGK | 0.73 | |
RRC | R-ROSCOVITINE | A | 1UNL | 0.73 | |
RRC | R-ROSCOVITINE | A | 2A4L | 0.73 | |
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 | |
SB6 | 4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL- 5-(4-PYRIDYL)-IMIDAZOLE | A | 1BL6 | 0.71 | |
M1B | 2-{3'-[AMINO(IMINO)METHYL]BIPHENYL- 4-YL}-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE | A | 2I5A | 0.74 | |
YE7 | IMIDAZO[2,1-A]ISOQUINOLINE-2-CARBOHYDRAZIDE | A | 2P98 | 0.71 |