Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03518943
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 |
L23 | 4-[1-(2,6-dichlorobenzyl)-2-methyl- 1H-imidazol-4-yl]pyrimidin-2-amine | A,C | 2W71 | 0.73 | |
JN5 | (2S)-1,3-benzothiazol-2-yl{2-[(2- pyridin-3-ylethyl)amino]pyrimidin- 4-yl}ethanenitrile | A | 3CY3 | 0.73 | |
KSM | N-(2-chloro-6-methylphenyl)-8-[(3S)- 3-methylpiperazin-1-yl]imidazo[1,5- a]quinoxalin-4-amine | A | 2ZM4 | 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 | 0.71 | |
RMC | (2R)-2-({6-[BENZYL(METHYL)AMINO]- 9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN- 1-OL | A | 1YGJ | 0.72 | |
T15 | 2-{3-[(benzylsulfonyl)amino]-6- methyl-2-oxopyridin-1(2H)-yl}-N- ({1-[2-(tert-butylamino)-2-oxoethyl]- 4-methyl-1H-imidazol-5-yl}methyl)acetamide | A,B | 3C1K | 0.7 | |
LZL | 7-(2,5-dihydropyrrol-1-yl)-6-phenyl- pyrido[6,5-d]pyrimidin-2-amine | A,B | 2V5A | 0.7 | |
IQP | 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE | E | 1YDR | 0.74 | |
5MS | N-{2-methyl-5-[(6-phenylpyrimidin- 4-yl)amino]phenyl}methanesulfonamide | A | 3EXO | 0.76 | |
SCZ | 3-cyclopropyl-5-phenyl-N-(pyridin- 3-ylmethyl)pyrazolo[1,5-a]pyrimidin- 7-amine | A | 2R3N | 0.71 | |
R11 | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL- 1-YLMETHYL)-1H-BENZOIMIDAZOL-2- YLMETHYL]-AMINO}-BENZAMIDINE | A | 1G2M | 0.74 | |
R11 | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL- 1-YLMETHYL)-1H-BENZOIMIDAZOL-2- YLMETHYL]-AMINO}-BENZAMIDINE | B,C | 1G32 | 0.74 | |
R11 | 4-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL- 1-YLMETHYL)-1H-BENZOIMIDAZOL-2- YLMETHYL]-AMINO}-BENZAMIDINE | A | 1G36 | 0.74 | |
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 | 0.78 | |
GVH | 1H-PYRROLO[2,3-B]PYRIDINE | A | 2UVX | 0.76 | |
1HP | 4-(2-amino-1-methyl-1H-imidazo[4,5- b]pyridin-6-yl)phenol | A,B | 2QSE | 0.71 | |
255 | N-(tert-butyl)-4-[5-(pyridin-2- ylamino)quinolin-3-yl]benzenesulfonamide | A,B | 2R9S | 0.77 | |
K51 | 4-(6-{[(1S)-1-(HYDROXYMETHYL)-2- METHYLPROPYL]AMINO}IMIDAZO[1,2- B]PYRIDAZIN-3-YL)BENZONITRILE | X | 2PMN | 0.72 | |
JNF | N-cyclohexyl-4-imidazo[1,2-a]pyridin- 3-yl-N-methylpyrimidin-2-amine | A | 3CGF | 0.75 | |
LID | 8-(2-CHLOROPHENYLAMINO)-2-(2,6- DIFLUOROPHENYLAMINO)-9-ETHYL-9H- PURINE-1,7-DIIUM | A | 2GTM | 0.71 | |
IYZ | 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2- B]PYRIDAZIN-3-YL}PHENYL)ETHANONE | B | 2C3I | 0.71 | |
N76 | 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN- 2-YLAMINO)-BENZENESULFONAMIDE | A,B,C,D | 1OIU | 0.72 | |
24A | {[(4-{[2-(4-AMINOCYCLOHEXYL)-9- ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID | A,B | 2BDF | 0.76 | |
M03 | 1-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3- d]pyrimidin-4-yl)piperidin-4-yl]methanamine | A,I | 2VO0 | 0.74 | |
325 | N-{2,4-difluoro-3-[(5-pyridin-3- yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide | A | 3C4D | 0.75 | |
AD5 | N~6~-cyclohexyl-N~2~-(4-morpholin- 4-ylphenyl)-9H-purine-2,6-diamine | A,B | 2VGO | 0.73 | |
HDU | N-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN- 3-YL)-2-PYRIMIDINYL]ACETAMIDE | A | 1OIQ | 0.74 | |
FRT | N-(2-METHOXYETHYL)-4-({4-[2-METHYL- 1-(1-METHYLETHYL)-1H-IMIDAZOL-5- YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE | A | 2W05 | 0.79 | |
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 | 0.77 | |
D13 | 4-[5-(3-IODO-PHENYL)-2-(4-METHANESULFINYL- PHENYL)-1H-IMIDAZOL-4-YL]-PYRIDINE | A | 1IAN | 0.84 | |
IP6 | N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE- 2,3-DIAMINE | A | 2OHT | 0.74 | |
SB4 | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)- 5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE | A | 1BL7 | 0.78 | |
SB4 | 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)- 5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE | A | 3ERK | 0.78 | |
I24 | 2-butoxy-9-(2,6-difluorobenzyl)- N-(2-morpholin-4-ylethyl)-9H-purin- 6-amine | A,B | 2VVT | 0.73 | |
MPI | IMIDAZO[1,2-A]PYRIDINE | A | 1AEM | 0.76 | |
G95 | N-[(1S)-2-amino-1-phenylethyl]- 5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene- 2-carboxamide | A,B | 3E87 | 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 | 0.7 | |
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 | 0.71 | |
8AP | N~3~-BENZYLPYRIDINE-2,3-DIAMINE | A | 2OHM | 0.72 | |
DF2 | (2R)-3-{[(4Z)-5,6-DIPHENYL-6,7- DIHYDRO-4H-PYRROLO[2,3-D]PYRIMIDIN- 4-YLIDENE]AMINO}PROPANE-1,2-DIOL | A | 2BRO | 0.71 | |
KS1 | 1-cyclopentyl-3-(1H-pyrrolo[2,3- b]pyridin-5-yl)-1H-pyrazolo[3,4- d]pyrimidin-4-amine | A,B | 3EN4 | 0.74 | |
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 | |
CP9 | 3-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN- 1-YL)BENZYL]-3H-BENZOTHIAZOL-2- ONE | A | 1TV6 | 0.77 | |
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 | |
801 | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}PYRIDIN-3-OLATE | A | 1O34 | 0.72 | |
801 | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}PYRIDIN-3-OLATE | A | 1O31 | 0.72 | |
801 | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}PYRIDIN-3-OLATE | A | 1O33 | 0.72 | |
801 | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL- 2-YL}PYRIDIN-3-OLATE | A | 1O32 | 0.72 | |
HA3 | N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2- a]pyrazin-7(8H)-yl)carbonyl]thiophene- 2-carboxamide | A,B | 2VQV | 0.72 | |
HA3 | N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2- a]pyrazin-7(8H)-yl)carbonyl]thiophene- 2-carboxamide | A | 2VQM | 0.72 | |
P29 | 4-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)- 2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE- 8-CARBONITRILE | A | 2PVM | 0.71 | |
ALH | 6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINE | A,B | 1UNG | 0.72 | |
WAI | 4-{2-[4-(2-AMINOETHYL)PIPERAZIN- 1-YL]PYRIDIN-4-YL}-N-(3-CHLORO- 4-METHYLPHENYL)PYRIMIDIN-2-AMINE | A | 1Y2F | 0.72 | |
FTB | N-{4-[1-(2-FLUOROBENZYL)-3-BUTYL- 2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H- PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE | A | 1NHX | 0.72 | |
D94 | 3-[cis-3-(4-methylpiperazin-1-yl)cyclobutyl]- 1-(2-phenylquinolin-7-yl)imidazo[1,5- a]pyrazin-8-amine | A | 3D94 | 0.74 | |
QIG | N-1H-indazol-5-yl-2-(6-methylpyridin- 2-yl)quinazolin-4-amine | A | 3GXL | 0.72 | |
MOJ | (5E,7S)-2-amino-7-(4-fluoro-2-pyridin- 3-ylphenyl)-4-methyl-7,8-dihydroquinazolin- 5(6H)-one oxime | A | 3FT8 | 0.71 | |
3JZ | N-methyl-N-{2-[({2-[(2-oxo-2,3- dihydro-1H-indol-5-yl)amino]-5- (trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide | A | 3FZR | 0.71 | |
880 | CYCLOHEXYL-{4-[5-(3,4-DICHLOROPHENYL)- 2-PIPERIDIN-4-YL-3-PROPYL-3H-IMIDAZOL- 4-YL]-PYRIMIDIN-2-YL}AMINE | A | 1PMQ | 0.74 | |
CT8 | (5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN- 1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)- 1,5-DIHYDRO[1,2,4]TRIAZOLO[1,5- A]PYRIMIDIN-7-AMINE | A | 2C69 | 0.71 | |
S11 | 5-(3,5-DICHLOROPHENYL)THIO-4-ISOPROPYL- 1-(PYRIDIN-4-YL-METHYL)-1H-IMIDAZOL- 2-YL-METHYL CARBAMATE | A | 1EP4 | 0.7 | |
IDN | (E)-N-METHYL-N-(1-METHYL-1H-INDOL- 3-YLMETHYL)-3-(7-OXO-5,6,7,8-TETRAHYDRO- [1,8]NAPHTHYRIDIN-3-YL)-ACRYLAMIDE | A,B | 1MFP | 0.7 | |
SB2 | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL- PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE | A | 2EWA | 0.84 | |
SB2 | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL- PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE | A | 1A9U | 0.84 | |
SB2 | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL- PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE | A | 1PME | 0.84 | |
BMI | 3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL- 1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN- 2-YLMETHYL)AMINO]PYRIDIN-2(1H)- ONE | A | 2OJ9 | 0.76 | |
CT9 | 4-[5-(TRANS-4-AMINOCYCLOHEXYLAMINO)- 3-ISOPROPYLPYRAZOLO[1,5-A]PYRIMIDIN- 7-YLAMINO]-N,N-DIMETHYLBENZENESULFONAMIDE | A | 1Y91 | 0.71 | |
HT2 | 5-AMIDINO-2-[2-(4-AMIDINOPHENYL)- 5-BENZIMIDAZOLYL]BENZIMIDAZOLE | B | 311D | 0.72 | |
L1B | 7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN- 5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM | A,B | 2G21 | 0.71 | |
L0E | 4-[(2-{4-[(PHENYLCARBAMOYL)AMINO]- 1H-PYRAZOL-3-YL}-1H-BENZIMIDAZOL- 5-YL)METHYL]MORPHOLIN-4-IUM | A | 2W1E | 0.7 | |
PMD | [N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]- DIBENZ[B,F]AZEPINE | A | 1KLK | 0.73 | |
MBB | 2'-(3-METHYL-4-DIMETHYLAMINOPHENYL)- 5-(4-METHYL-1-PIPERAZINYL)-2,5'- BI-BENZIMIDAZOLE | B | 1QV4 | 0.74 | |
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 | |
349 | 5-{[4-{[2-(pyrrolidin-1-ylsulfonyl)benzyl]amino}- 5-(trifluoromethyl)pyrimidin-2- yl]amino}-1,3-dihydro-2H-indol- 2-one | A | 3ET7 | 0.75 | |
FRV | 4-{[4-(1-CYCLOPROPYL-2-METHYL-1H- IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}- N-METHYLBENZENESULFONAMIDE | A | 2W06 | 0.82 | |
SB6 | 4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL- 5-(4-PYRIDYL)-IMIDAZOLE | A | 1BL6 | 0.77 | |
NIL | Nilotinib | A,B,C,D | 3CS9 | 0.7 | |
NIL | Nilotinib | A | 3GP0 | 0.7 | |
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 | 0.71 | |
BZI | BENZIMIDAZOLE | A | 1RYC | 0.71 | |
BZI | BENZIMIDAZOLE | A | 1L5F | 0.71 | |
BZI | BENZIMIDAZOLE | A | 1KXM | 0.71 | |
OLO | OLOMOUCINE | A | 4ERK | 0.73 | |
OLO | OLOMOUCINE | C | 1W0X | 0.73 | |
654 | 4-(2-THIENYL)-1-(4-METHYLBENZYL)- 1H-IMIDAZOLE | A,B | 1I2Z | 0.72 | |
120 | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | B | 1GI7 | 0.71 | |
120 | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | H,I | 1GHV | 0.71 | |
120 | 2-(2-OXO-1,2-DIHYDRO-PYRIDIN-3- YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE | A | 1GHZ | 0.71 | |
SB5 | 4-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL- 5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE | A | 1BMK | 0.76 | |
AYM | 3-(6-AMINOPYRIDIN-3-YL)-N-METHYL- N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE | A,B | 1LXC | 0.72 | |
AEE | 6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}- N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3- D]PYRIMIDIN-4-AMINE | A | 2J6M | 0.79 | |
AEE | 6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}- N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3- D]PYRIMIDIN-4-AMINE | A | 2JIU | 0.79 | |
AEE | 6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}- N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3- D]PYRIMIDIN-4-AMINE | A | 2ITT | 0.79 | |
AEE | 6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}- N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3- D]PYRIMIDIN-4-AMINE | A | 2ITP | 0.79 | |
9DA | 9-DEAZAADENINE | A | 1L1R | 0.72 | |
9DA | 9-DEAZAADENINE | A | 1L1Q | 0.72 | |
DF9 | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2- d]pyrimidin-7-yl)methyl]-4-[(benzylsulfanyl)methyl]pyrrolidin- 3-ol | A,B | 3DF9 | 0.73 | |
DLI | (3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN- 4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN- 3-AMINE | B | 2OAG | 0.78 | |
GVI | N-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE | A | 2UVY | 0.77 | |
AAI | trans-4-(7-carbamoyl-1H-benzimidazol- 2-yl)-1-propylpiperidinium | A | 2RCW | 0.72 | |
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 | 0.71 | |
C02 | 4-(5-BENZENESULFONYLAMINO-1-METHYL- 1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE | B,C | 1KTT | 0.81 | |
RC8 | (2R)-2-({9-(1-methylethyl)-6-[(4- pyridin-2-ylbenzyl)amino]-9H-purin- 2-yl}amino)butan-1-ol | A,C | 3DDP | 0.79 | |
I1P | 2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]- | A | 1URW | 0.82 | |
STS | 2-[(1S)-1-BENZYL-2-SULFANYLETHYL]- 1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM | A | 1Y8J | 0.83 | |
LZ4 | 4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide | A | 2VTJ | 0.73 | |
GVJ | (S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE | A | 2UVZ | 0.76 | |
084 | 4-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN- 4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)- 1H-IMIDAZOL-2-YL]-PIPERIDINE | A | 1OUK | 0.78 | |
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 | |
RRC | R-ROSCOVITINE | A,B,C,D | 3DDQ | 0.72 | |
RRC | R-ROSCOVITINE | A | 1YGK | 0.72 | |
RRC | R-ROSCOVITINE | A | 1UNL | 0.72 | |
RRC | R-ROSCOVITINE | A | 2A4L | 0.72 | |
ED4 | tert-butyl 4-({(2-{(4-cyanophenyl)[(1- methyl-1H-imidazol-5-yl)methyl]amino}ethyl)[(1- methyl-1H-imidazol-4-yl)sulfonyl]amino}methyl)piperidine- 1-carboxylate | B | 3E30 | 0.72 | |
YAM | N-methyl-N-{3-[({2-[(2-oxo-2,3- dihydro-1H-indol-5-yl)amino]-5- (trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin- 2-yl}methanesulfonamide | A | 3BZ3 | 0.74 | |
P1E | 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}- 5-(trifluoromethyl)pyrimidin-2- yl]amino}-N-methylbenzenesulfonamide | A | 3H3C | 0.77 | |
M04 | 1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3- d]pyrimidin-4-yl)piperidin-4-yl]methanamine | A | 2VO3 | 0.75 | |
T50 | 1-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUOROPHENYL)- 4-METHYL-1H-BENZIMIDAZOLE | A | 2B6A | 0.71 | |
KSL | N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5- a]pyrazin-8-amine | A | 2ZYB | 0.78 | |
CKE | 1-{7-cyclohexyl-6-[4-(4-methylpiperazin- 1-yl)benzyl]-7H-pyrrolo[2,3-d]pyrimidin- 2-yl}methanamine | A | 2R6N | 0.78 | |
4SP | A | 2C6O | 0.72 | ||
4SP | A,B,C,D | 2IW8 | 0.72 | ||
4SP | A,C | 1H1S | 0.72 | ||
4SP | A,B,C,D | 2IW9 | 0.72 | ||
SCW | 3-bromo-6-phenyl-N-(pyrimidin-5- ylmethyl)imidazo[1,2-a]pyridin- 8-amine | A | 2R3L | 0.76 | |
SPP | (1-(5-METHANSULPHONAMIDO-1H-INDOL- 2-YL-CARBONYL)4-[METHYLAMINO)PYRIDINYL]PIPERAZINE | A | 1KLM | 0.74 | |
ED5 | tert-butyl 4-({(2-{(4-cyanophenyl)[(1- methyl-1H-imidazol-5-yl)methyl]amino}ethyl)[(2- methylphenyl)sulfonyl]amino}methyl)piperidine- 1-carboxylate | B | 3E37 | 0.75 | |
LIH | 6-([5-QUINOLYLAMINO]METHYL)-2,4- DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE | A | 1KMS | 0.73 | |
HM2 | 5-CHLORO-6-METHYL-N-(2-PHENYLETHYL)- 2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE | A | 2G6P | 0.76 | |
DFZ | 3-AMINO-3-BENZYL-[4.3.0]BICYCLO- 1,6-DIAZANONAN-2-ONE | A | 2BRM | 0.73 | |
U55 | 4-[(6-AMINO-4-PYRIMIDINYL)AMINO]BENZENESULFONAMIDE | A | 1JSV | 0.73 | |
3BA | 7-amino-2-tert-butyl-4-{[2-(1H- imidazol-4-yl)ethyl]amino}pyrido[2,3- d]pyrimidine-6-carboxamide | A | 3BAA | 0.71 | |
GAX | 1-{3-[(4-pyridin-2-ylpiperazin- 1-yl)sulfonyl]phenyl}-3-(1,3-thiazol- 2-yl)urea | A | 2RHQ | 0.73 | |
GAX | 1-{3-[(4-pyridin-2-ylpiperazin- 1-yl)sulfonyl]phenyl}-3-(1,3-thiazol- 2-yl)urea | A,B,C,D | 2RHS | 0.73 | |
BII | 2-{[5-CHLORO-2-({(1E,4R)-2-METHOXY- 4-[(3R)-3-(METHYLAMINO)PYRROLIDIN- 1-YL]CYCLOHEXA-2,5-DIEN-1-YLIDENE}AMINO)PYRIMIDIN- 4-YL]AMINO}-N-(1-METHYLETHYL)BENZENESULFONAMIDE | A | 2JKM | 0.73 | |
6IP | 6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN- 2-AMINE | A | 2OHP | 0.72 | |
DB9 | 2-{4'-[AMINO(IMINO)METHYL]BIPHENYL- 3-YL}-1H-BENZIMIDAZOLE-6-CARBOXIMIDAMIDE | A,B | 2NLM | 0.73 | |
PGI | (5R,6R,7S,8S)-5-(HYDROXYMETHYL)- 2-(2-PHENYLETHYL)-1,5,6,7,8,8A- HEXAHYDROIMIDAZO[1,2-A]PYRIDINE- 6,7,8-TRIOL | A,B | 2CET | 0.71 | |
PGI | (5R,6R,7S,8S)-5-(HYDROXYMETHYL)- 2-(2-PHENYLETHYL)-1,5,6,7,8,8A- HEXAHYDROIMIDAZO[1,2-A]PYRIDINE- 6,7,8-TRIOL | A,B | 2CER | 0.71 | |
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 | |
GVK | 6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN- 4-YL]PHENYL}-9H-PURINE | A | 2UW0 | 0.74 | |
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 | 0.74 | |
PIQ | 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5- B]PYRIDINE | A,B | 2QXM | 0.81 | |
PIQ | 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5- B]PYRIDINE | A | 1HZ0 | 0.81 | |
ABI | 5-AMIDINO-BENZIMIDAZOLE | A | 1C2K | 0.75 | |
D1B | 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}- 2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE | A | 1VZK | 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 | 1X38 | 0.71 | |
IDD | (5R,6R,7S,8S)-5-(HYDROXYMETHYL)- 2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2- A]PYRIDINE-6,7,8-TRIOL | A | 1LQ2 | 0.71 | |
SC3 | 7-BENZYL-1,3-DIMETHYL-8-PIPERAZIN- 1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE | A,B,C,D | 2AJ8 | 0.7 | |
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 | 0.74 | |
T87 | [(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)- METHYL]-1-METHYL-1H-BENZOIMIDAZOL- 5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL- METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER | A | 1G2L | 0.74 | |
T87 | [(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)- METHYL]-1-METHYL-1H-BENZOIMIDAZOL- 5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL- METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER | A | 1OYQ | 0.74 | |
CM6 | (2S)-2-[(2,1,3-BENZOTHIADIAZOL- 4-YLSULFONYL)AMINO]-2-PHENYL-N- PYRIDIN-4-YLACETAMIDE | A | 2CIB | 0.7 | |
IM9 | 2-{4-[4-({4-[2-methyl-1-(1-methylethyl)- 1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin- 1-yl}-2-oxoethanol | A | 2VV9 | 0.71 | |
DF1 | (2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3- D]PYRIMIDIN-4-YL)AMINO]PROPAN-2- OL | A | 2BRN | 0.72 | |
EMU | N-BENZYL-9H-PURIN-6-AMINE | A | 1W1S | 0.76 | |
GW3 | 7-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2- F]QUINAZOLINE-1,3-DIAMINE | A,B | 1AOE | 0.72 | |
KS5 | 1-(1-methylethyl)-3-quinolin-6- yl-1H-pyrazolo[3,4-d]pyrimidin- 4-amine | B | 3EN6 | 0.72 | |
KSF | N-(2-chlorophenyl)-5-phenylimidazo[1,5- a]pyrazin-8-amine | A | 2ZM1 | 0.74 | |
D91 | 5-CHLORO-2-({3-ISOBUTYL-4-[(5-PYRIDIN- 4-YLPYRIMIDIN-2-YL)CARBONYL]PIPERAZIN- 1-YL}SULFONYL)-1H-INDOLE | A | 1WU1 | 0.76 | |
8IP | N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE- 2,3-DIAMINE | A | 2OHR | 0.74 | |
SCE | 3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2- a]pyrazin-8-amine | A | 2R3H | 0.79 | |
199 | N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]- 1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE | A | 1ZYS | 0.74 | |
SC9 | 6-(2-fluorophenyl)-N-(pyridin-3- ylmethyl)imidazo[1,2-a]pyrazin- 8-amine | A | 2R3G | 0.8 | |
J07 | 4-{[5-chloro-4-(1H-indol-3-yl)pyrimidin- 2-yl]amino}-N-ethylpiperidine-1- carboxamide | A | 2P33 | 0.72 | |
815 | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1- (1-AMINO-ISOQUINOLIN-7-YLMETHYL)- 2-OXO-PYRROLDIN-3-YL]-AMIDE | A | 1F0R | 0.7 | |
984 | CYCLOPROPYL-{4-[5-(3,4-DICHLOROPHENYL)- 2-[(1-METHYL)-PIPERIDIN]-4-YL-3- PROPYL-3H-IMIDAZOL-4-YL]-PYRIMIDIN- 2-YL}AMINE | A | 1PMN | 0.75 | |
55F | N-[4-(5-fluoro-6-methylpyridin- 2-yl)-5-quinoxalin-6-yl-1H-imidazol- 2-yl]acetamide | A,B,C,D,E | 3FAA | 0.76 | |
C4E | N-phenyl-1H-pyrrolo[2,3-b]pyridin- 3-amine | A,B,C,D | 3C4E | 0.79 | |
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 | 0.72 | |
D2A | 2-(4'-AMIDINOBIPHENYL-4-YL)-1H- BENZIMIDAZOLE-5-AMIDINE | A | 2B0K | 0.73 | |
HDT | 4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN- 2-YL)AMINO]BENZENESULFONAMIDE | A | 1OIT | 0.85 | |
ED7 | N-benzyl-N-(2-{(4-cyanophenyl)[(1- methyl-1H-imidazol-5-yl)methyl]amino}ethyl)- 2-methylbenzenesulfonamide | B | 3E33 | 0.78 | |
JNO | 2-{4-[(4-imidazo[1,2-a]pyridin- 3-ylpyrimidin-2-yl)amino]piperidin- 1-yl}-N-methylacetamide | A | 3CGO | 0.72 | |
5MB | 5-METHYLBENZIMIDAZOLE | A | 1JHM | 0.75 | |
CQU | N-[2-(5-methyl-4H-1,2,4-triazol- 3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin- 4-amine | A | 3CQU | 0.73 | |
IZZ | (2S)-2-{[3-(3-aminophenyl)imidazo[1,2- b]pyridazin-6-yl]amino}-3-methylbutan- 1-ol | A | 3F2N | 0.74 | |
M1B | 2-{3'-[AMINO(IMINO)METHYL]BIPHENYL- 4-YL}-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE | A | 2I5A | 0.73 | |
ED2 | N-benzyl-N-(2-{(4-cyanophenyl)[(1- methyl-1H-imidazol-5-yl)methyl]amino}ethyl)- 1-methyl-1H-imidazole-4-sulfonamide | B | 3E32 | 0.75 | |
PB9 | methyl 4-{[{(3S)-6-cyano-1-[(1- methyl-1H-imidazol-5-yl)methyl]- 1,2,3,4-tetrahydroquinolin-3-yl}(pyridin- 2-ylsulfonyl)amino]methyl}piperidine- 1-carboxylate | B | 2R2L | 0.76 | |
628 | 4-{[6-(2,6-DICHLOROBENZOYL)IMIDAZO[1,2- A]PYRIDIN-2-YL]AMINO}BENZENESULFONAMIDE | A | 1YKR | 0.74 | |
PIU | 1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}- 2,4,6-TRIMETHYLPYRIDINIUM | A | 1ZE8 | 0.71 | |
CPZ | 4-(4-CHLOROPHENYL)IMIDAZOLE | A | 1SUO | 0.73 | |
I17 | 2-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]- 6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE | A | 1G5S | 0.75 | |
M05 | 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3- d]pyrimidin-4-yl)piperidin-4-aminium | A | 2VO7 | 0.76 | |
M05 | 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3- d]pyrimidin-4-yl)piperidin-4-aminium | A | 2VO6 | 0.76 | |
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 | |
FXG | N-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamide | A | 3DAJ | 0.73 | |
T74 | N~3~-(2,6-dimethylphenyl)-1-(3- methoxy-3-methylbutyl)-N~6~-(4- piperazin-1-ylphenyl)-1H-pyrazolo[3,4- d]pyrimidine-3,6-diamine | A,B | 3EQR | 0.7 | |
855 | 2-(6-methylpyridin-2-yl)-N-pyridin- 4-ylquinazolin-4-amine | A | 3HMM | 0.74 | |
MA9 | (3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN- 4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN- 3-AMINE | A | 2OQV | 0.77 | |
IQS | N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE | E | 1YDS | 0.71 | |
CT6 | (5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN- 1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)- 1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN- 7-AMINE | A | 2C68 | 0.72 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A,B | 2D0T | 0.78 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1E9X | 0.78 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1PHD | 0.78 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A,B,C,D | 2RFC | 0.78 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1ODO | 0.78 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 3E5K | 0.78 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1PHE | 0.78 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A,B | 1F4T | 0.78 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1S1F | 0.78 | |
PIM | 4-PHENYL-1H-IMIDAZOLE | A | 1PHF | 0.78 | |
C24 | 3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)- METHYL]-3-METHYL-3H-BENZOIMIDAZOLE- 5-CARBONYL}-PYRIDIN-2-YL-AMINO)- PROPIONIC ACID ETHYL ESTER | B,C | 1KTS | 0.71 | |
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 | 0.74 | |
PY8 | 6-BROMO-13-THIA-2,4,8,12,19-PENTAAZATRICYCLO[12.3.1.1~3,7~]NONADECA- 1(18),3(19),4,6,14,16-HEXAENE 13,13- DIOXIDE | A | 2J9M | 0.72 | |
AM9 | 6-(2,6-dimethylphenyl)-2-{[4-(4- methylpiperazin-1-yl)phenyl]amino}pyrimido[5',4':5,6]pyrimido[1,2- a]benzimidazol-5(6H)-one | A | 3BYO | 0.71 | |
DMD | 5,6-DIMETHYLBENZIMIDAZOLE | A | 1D0S | 0.75 |