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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00366737

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
KSLN-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine
A2ZYB0.76
FTI1-{2-[3-(4-CYANO-BENZYL)-3H-IMIDAZOL-
4-YL]-ACETYL}-5-NAPHTHALEN-1-YL-
1,2,3,6-TETRAHYDRO-PYRIDINE-4-CARBONITRILE
B1N9A0.73
C60[[[3-(2-METHYL-PROPANE-2-SULFONYL)-
1-BENZENYL]-2-PROPYL]-CARBONYL-
HISTIDYL]-AMINO-[CYCLOHEXYLMETHYL]-
[2-HYDROXY-4-ISOPROPYL]-PENTAN-
5-OIC ACID BUTYLAMIDE
A1RNE0.7
XIH2-({8-[(3R)-3-AMINOPIPERIDIN-1-
YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-
TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE
A2GBI0.72
PB4N,N'-BIS(4-FLUORO-3-METHYLBENZYL)PYRIMIDINE-
4,6-DICARBOXAMIDE
A,B1XUD0.7
SCE3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-
a]pyrazin-8-amine
A2R3H0.72
SC96-(2-fluorophenyl)-N-(pyridin-3-
ylmethyl)imidazo[1,2-a]pyrazin-
8-amine
A2R3G0.75
7784-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-
1-YL]METHYL}-1H-IMIDAZOL-1-YL)METHYL]BENZONITRILE
B,C,D,F,G,H,
I,J,K,L
1S640.77
7784-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-
1-YL]METHYL}-1H-IMIDAZOL-1-YL)METHYL]BENZONITRILE
B1S630.77
I172-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]-
6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE
A1G5S0.71
I19N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-
1-yl]carbonyl}phenyl)-5-fluoro-
4-[2-methyl-1-(1-methylethyl)-1H-
imidazol-5-yl]pyrimidin-2-amine
A2W170.73
FXGN-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamideA3DAJ0.71
RMC(2R)-2-({6-[BENZYL(METHYL)AMINO]-
9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN-
1-OL
A1YGJ0.7
YE7IMIDAZO[2,1-A]ISOQUINOLINE-2-CARBOHYDRAZIDEA2P980.72
IH4N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)
A2BJU0.74
251N-[amino(imino)methyl]-2-(2,5-diphenyl-
1H-pyrrol-1-yl)acetamide
A2QU20.7
P5C2-{[(1R,2S)-2-aminocyclohexyl]amino}-
4-[(3-methylphenyl)amino]pyrimidine-
5-carboxamide
A3FQE0.72
SCW3-bromo-6-phenyl-N-(pyrimidin-5-
ylmethyl)imidazo[1,2-a]pyridin-
8-amine
A2R3L0.73
CDD2-(6-CHLORO-3-{[2,2-DIFLUORO-2-
(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-
2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE
B,C1MUE0.7
C92N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-
4-methyl-benzene-1,3-dicarboxamide
A,B3CPB0.7
SB64-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-
5-(4-PYRIDYL)-IMIDAZOLE
A1BL60.72
OWLN-1H-imidazol-2-yl-N'-[4-(1H-imidazol-
2-ylamino)phenyl]benzene-1,4-diamine
A,G3FSI0.73
IH32-(2,2-DIPHENYL-ETHYL)-7-METHYL-
1,3-DIOXO-2,3,5,8-TETRAHYDRO-1H-
[1,2,4] TRIAZOLO[1,2-A]PYRIDAZINE-
5-CARBOXYLIC ACID [4-(2-AMINO-3H-
IMIDAZOL-4-YL)-CYCLOHEXYL]-AMIDE
2,31C4Y0.74
LI8N-(3-{[5-BROMO-2-({3-[(PYRROLIDIN-
1-YLCARBONYL)AMINO]PHENYL}AMINO)PYRIMIDIN-
4-YL]AMINO}PROPYL)-2,2-DIMETHYLMALONAMIDE
A1Z5M0.72
HBNN-(2-NAPHTHYL)HISTIDINAMIDEB1VEA0.76
IM92-{4-[4-({4-[2-methyl-1-(1-methylethyl)-
1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-
1-yl}-2-oxoethanol
A2VV90.73
HDUN-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-
3-YL)-2-PYRIMIDINYL]ACETAMIDE
A1OIQ0.72
NILNilotinibA,B,C,D3CS90.72
NILNilotinibA3GP00.72
PIM4-PHENYL-1H-IMIDAZOLEA,B2D0T0.76
PIM4-PHENYL-1H-IMIDAZOLEA1E9X0.76
PIM4-PHENYL-1H-IMIDAZOLEA1PHD0.76
PIM4-PHENYL-1H-IMIDAZOLEA,B,C,D2RFC0.76
PIM4-PHENYL-1H-IMIDAZOLEA1ODO0.76
PIM4-PHENYL-1H-IMIDAZOLEA3E5K0.76
PIM4-PHENYL-1H-IMIDAZOLEA1PHE0.76
PIM4-PHENYL-1H-IMIDAZOLEA,B1F4T0.76
PIM4-PHENYL-1H-IMIDAZOLEA1S1F0.76
PIM4-PHENYL-1H-IMIDAZOLEA1PHF0.76
55FN-[4-(5-fluoro-6-methylpyridin-
2-yl)-5-quinoxalin-6-yl-1H-imidazol-
2-yl]acetamide
A,B,C,D,E3FAA0.72
3MN3-({3-[3-(1H-IMIDAZOL-1-YL)PROPYL]-
5-METHYL-5-(1-NAPHTHYL)-2,4-DIOXOIMIDAZOLIDIN-
1-YL}METHYL)BENZONITRILE
B2F0Y0.77
FR21-((1R)-1-(HYDROXYMETHYL)-3-PHENYLPROPYL)-
1H-IMIDAZOLE-4-CARBOXAMIDE
A1NDW0.74
SB44-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-
5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE
A1BL70.75
SB44-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-
5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE
A3ERK0.75
6322-(5-BENZYLAMINO-2-METHYLSULFANYL-
6-OXO-6H-PYRIMIDIN-1-YL)-N-[4-GUANIDINO-
1-(THIAZOLE-2-CARBONYL)-BUTYL]-
ACETAMIDE
A1ZTJ0.7
TSXN-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO-
2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)-
PHENYL]-ACETAMIDE
A1M510.74
FTBN-{4-[1-(2-FLUOROBENZYL)-3-BUTYL-
2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-
PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE
A1NHX0.71
JAN6-[(S)-AMINO(4-CHLOROPHENYL)(1-
METHYL-1H-IMIDAZOL-5-YL)METHYL]-
4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN-
2(1H)-ONE
B1X810.72
JAN6-[(S)-AMINO(4-CHLOROPHENYL)(1-
METHYL-1H-IMIDAZOL-5-YL)METHYL]-
4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN-
2(1H)-ONE
B1SA40.72
5MB5-METHYLBENZIMIDAZOLEA1JHM0.7
SC37-BENZYL-1,3-DIMETHYL-8-PIPERAZIN-
1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE
A,B,C,D2AJ80.77
G142-phenyl-1H-imidazole-4-carboxylic acidA,B3GRJ0.7
OLOOLOMOUCINEA4ERK0.71
OLOOLOMOUCINEC1W0X0.71
SB54-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL-
5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE
A1BMK0.74
PB21-(biphenyl-4-ylmethyl)-1H-imidazoleA,B,C,D3G930.82
PB21-(biphenyl-4-ylmethyl)-1H-imidazoleA,B,C,D3G5N0.82
FTH1-[2-(4-CYANO-BENZYLAMINO)-3-(3-
METHYL-3H-IMIDAZOL-4-YL)-PROPIONYL]-
5-NAPHTHALEN-1-YL-1,2,3,6-TETRAHYDRO-
PYRIDINE-4-CARBONITRILE
B1N950.77
JNO2-{4-[(4-imidazo[1,2-a]pyridin-
3-ylpyrimidin-2-yl)amino]piperidin-
1-yl}-N-methylacetamide
A3CGO0.73
ILTMONOIMIDAZOLE LEXITROPSINA1LEY0.7
ILTMONOIMIDAZOLE LEXITROPSINB1LEX0.7
PPX[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-
4-YLAMINO)-ETHYL]-AMINE
E,H1QBV0.72
T152-{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,B3C1K0.79
1BN1-BENZYL-1H-IMIDAZOLEA,B2AFX0.84
CPZ4-(4-CHLOROPHENYL)IMIDAZOLEA1SUO0.7
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A,B2QXM0.71
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A1HZ00.71
RRCR-ROSCOVITINEA,B,C,D3DDQ0.7
RRCR-ROSCOVITINEA1YGK0.7
RRCR-ROSCOVITINEA1UNL0.7
RRCR-ROSCOVITINEA2A4L0.7
0844-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-
4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-
1H-IMIDAZOL-2-YL]-PIPERIDINE
A1OUK0.72
XX5(S,S)-2-{1-CARBOXY-2-[3-(3,5-DICHLORO-
BENZYL)-3H-IMIDAZOL-4-YL]-ETHYLAMINO}-
4-METHYL-PENTANOIC ACID
A1R4L0.72
ED7N-benzyl-N-(2-{(4-cyanophenyl)[(1-
methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-
2-methylbenzenesulfonamide
B3E330.7
PB3N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE-
4,6-DICARBOXAMIDE
A,B1XUC0.72
L234-[1-(2,6-dichlorobenzyl)-2-methyl-
1H-imidazol-4-yl]pyrimidin-2-amine
A,C2W710.71
AYM3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-
N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE
A,B1LXC0.71
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
B1GI70.7
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
H,I1GHV0.7
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
A1GHZ0.7
RC8(2R)-2-({9-(1-methylethyl)-6-[(4-
pyridin-2-ylbenzyl)amino]-9H-purin-
2-yl}amino)butan-1-ol
A,C3DDP0.7
N31N-[3-(1H-benzimidazol-1-yl)propanoyl]glycyl-
L-alanyl-L-alaninamide
A3EXB0.78
MIM[CYCLOHEXYLETHYL]-[[[[4-[2-METHYL-
1-IMIDAZOLYL-BUTYL]PHENYL]ACETYL]-
SERYL]-LYSINYL]-AMINE
A2NMT0.79
MIM[CYCLOHEXYLETHYL]-[[[[4-[2-METHYL-
1-IMIDAZOLYL-BUTYL]PHENYL]ACETYL]-
SERYL]-LYSINYL]-AMINE
A,B1IYK0.79
MPZ4-[(4-METHYLPIPERAZIN-1-YL)METHYL]-
N-{3-[(4-PYRIDIN-3-YLPYRIMIDIN-
2-YL)AMINO]PHENYL}BENZAMIDE
A1Y570.7
BMI3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-
1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-
2-YLMETHYL)AMINO]PYRIDIN-2(1H)-
ONE
A2OJ90.72
KSFN-(2-chlorophenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine
A2ZM10.72
LIR2-[(3S)-3-AMINOPIPERIDIN-1-YL]-
1-(2-CYANOBENZYL)-5-METHYL-4,6-
DIOXO-3,4,5,6-TETRAHYDROPYRROLO[3,4-
D]IMIDAZOL-1-IUM
A2I3Z0.7
TMI1-[PHENYL-(4-PHENYLPHENYL)-METHYL]IMIDAZOLEA2BDM0.8