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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01146990

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
0844-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-
4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-
1H-IMIDAZOL-2-YL]-PIPERIDINE		A1OUK0.71
LI94-(4-FLUOROPHENYL)-1-METHYL-5-(2-
{[(1S)-1-PHENYLETHYL]AMINO}PYRIMIDIN-
4-YL)-2-PIPERIDIN-4-YL-1,2-DIHYDRO-
3H-PYRAZOL-3-ONE		A1YWR0.76
AAItrans-4-(7-carbamoyl-1H-benzimidazol-
2-yl)-1-propylpiperidinium		A2RCW0.73
LZL7-(2,5-dihydropyrrol-1-yl)-6-phenyl-
pyrido[6,5-d]pyrimidin-2-amine		A,B2V5A0.7
AM54-methyl-N~3~-(2-{[4-(4-methylpiperazin-
1-yl)phenyl]amino}pyrimidin-5-yl)-
N~1~-[3-(trifluoromethyl)phenyl]benzene-
1,3-dicarboxamide		A3BYS0.76
DRC9-AMINO-N-[2-(4-MORPHOLINYL)ETHYL]-
4-ACRIDINECARBOXAMIDE		A1KCI0.71
XXZ1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-
1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-
4'-AMINE		A,B3E650.7
FE1METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-
6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-
4-CARBOXYLATE		A,B,C,D2QHX0.78
AP62,4-DIAMINO-6-PHENYL-5,6,7,8,-TETRAHYDROPTERIDINEA,B1DMK0.71
311(3,3-dimethylpiperidin-1-yl)(6-
(3-fluoro-4-methylphenyl)pyridin-
2-yl)methanone		A,B,D,E3CH60.74
SN61-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUMA,B144D0.7
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,B1MFP0.73
A2TN-[1-(3-METHYLBUTYL)PIPERIDIN-4-
YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}-
4-PENTYLBENZAMIDE		A,B2IGY0.72
PRCN-[4-METHYL-3-[[4-(3-PYRIDINYL)-
2-PYRIMIDINYL]AMINO]PHENYL]-3-PYRIDINECARBOXAMIDE		A,B1FPU0.78
D236-(3-AMINOPHENYL)-N-(TERT-BUTYL)-
2-(TRIFLUOROMETHYL)QUINAZOLIN-4-
AMINE		A2B530.74
RBSN-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-
ACRYLAMIDE		A,B2HWO0.74
AM62-methyl-N-{4-methyl-3-[(2-{[4-
(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-
5-yl)carbamoyl]phenyl}-3-(trifluoromethyl)benzamide		A3BYU0.76
MPZ4-[(4-METHYLPIPERAZIN-1-YL)METHYL]-
N-{3-[(4-PYRIDIN-3-YLPYRIMIDIN-
2-YL)AMINO]PHENYL}BENZAMIDE		A1Y570.8
AM96-(2,6-dimethylphenyl)-2-{[4-(4-
methylpiperazin-1-yl)phenyl]amino}pyrimido[5',4':5,6]pyrimido[1,2-
a]benzimidazol-5(6H)-one		A3BYO0.73
3B9N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-
7-yl)-2-methylpropyl]-4-phenoxybenzamide		A3BAC0.72
3B9N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-
7-yl)-2-methylpropyl]-4-phenoxybenzamide		A3BA90.72
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE		A465D0.73
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE		A452D0.73
GK6N-{4'-[(cyclopropylmethyl)carbamoyl]-
6-methylbiphenyl-3-yl}-2-morpholin-
4-ylpyridine-4-carboxamide		A3D830.71
CC3N-{3-[(4-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-
2-YL)AMINO]PHENYL}CYCLOPROPANECARBOXAMIDE		A2NP80.73
L1B7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM		A,B2G210.71
DA75-FLUORO-9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE		A1DL80.74
MUHN-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-
2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE		A2OSC0.84
553(7S)-2-(2-aminopyrimidin-4-yl)-
7-(2-fluoroethyl)-1,5,6,7-tetrahydro-
4H-pyrrolo[3,2-c]pyridin-4-one		A,B3DU80.72
45B4-{[2-({4-[2-(4-acetylpiperazin-
1-yl)-2-oxoethyl]phenyl}amino)-
5-fluoropyrimidin-4-yl]amino}-N-
(2-chlorophenyl)benzamide		A,B,C3H0Z0.73
DVPMETHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-
6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE-
4-CARBOXYLATE		A,B,C,D,E,F,
G,H		3H4V0.77
1IGN-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-
4H-1,4-BENZOTHIAZIN-4-YL]ETHYL}ACETAMIDE		A,B2G1N0.75
89I5-[4-(DIMETHYLAMINO)PHENYL]-6-[(6-
MORPHOLIN-4-YLPYRIDIN-3-YL)ETHYNYL]PYRIMIDIN-
4-AMINE		A,B2I6B0.71
A1T5-PENTYL-N-{[4'-(PIPERIDIN-1-YLCARBONYL)BIPHENYL-
4-YL]METHYL}-N-[1-(PYRIDIN-2-YLMETHYL)PIPERIDIN-
4-YL]PYRIDINE-2-CARBOXAMIDE		A2IGX0.7
OA45-methyl-6-phenylquinazoline-2,4-
diamine		A2W6P0.7
2423-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-
N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE		A,B2OFV0.8
AT6N-[2-(6-AMINO-4-METHYLPYRIDIN-2-
YL)ETHYL]-4-CYANOBENZAMIDE		A,B3E680.77
406N-[3-(4,5'-BIPYRIMIDIN-2-YLAMINO)-
4-METHYLPHENYL]-4-{[(3S)-3-(DIMETHYLAMINO)PYRROLIDIN-
1-YL]METHYL}-3-(TRIFLUOROMETHYL)BENZAMIDE		A,B2E2B0.79
NILNilotinibA,B,C,D3CS90.77
NILNilotinibA3GP00.77
3BD7-amino-2-tert-butyl-4-(4-pyrimidin-
2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-
6-carboxamide		A3BAB0.76
6IG6-ETHYL-5-[1-(3-METHOXYPROPYL)-
1,2,3,4-TETRAHYDROQUINOLIN-7-YL]-
N~4~-(2-PHENYLETHYL)PYRIMIDINE-
2,4-DIAMINE		A,B2G220.74
YAMN-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		A3BZ30.71
PM1[2-AMINO-6-(2,6-DIFLUORO-BENZOYL)-
IMIDAZO[1,2-A]PYRIDIN-3-YL]-PHENYL-
METHANONE		A1PYE0.7
NAZN~3~-{3-[(7-METHYL-1,8-NAPHTHYRIDIN-
2-YL)AMINO]-3-OXOPROPYL}-N~1~-[(7-
OXO-7,8-DIHYDRO-1,8-NAPHTHYRIDIN-
2-YL)METHYL]-BETA-ALANINAMIDE		A,B1X260.78
JIN6-(2,6-DICHLOROPHENYL)-2-[(4-FLUORO-
3-METHYLPHENYL)AMINO]-8-METHYLPYRIDO[2,3-
D]PYRIMIDIN-7(8H)-ONE		A,B2HZI0.72
G444-({[4-(3-METHYLBENZOYL)PYRIDIN-
2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE		C,D2PKS0.71
MOJ(5E,7S)-2-amino-7-(4-fluoro-2-pyridin-
3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-
5(6H)-one oxime		A3FT80.73
LIY6-ETHYL-5-[(2S)-1-(3-METHOXYPROPYL)-
2-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-
7-YL]PYRIMIDINE-2,4-DIAMINE		A,B2IKU0.76
UI16-[(Z)-AMINO(IMINO)METHYL]-N-[4-
(AMINOMETHYL)PHENYL]-4-(PYRIMIDIN-
2-YLAMINO)-2-NAPHTHAMIDE		A1SQA0.74
7AD9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-
4-CARBOXAMIDE		A,B1RQY0.74
RAJN-{3-[3-(DIMETHYLAMINO)PROPYL]-
5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-
3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE		X2OO80.83
RAJN-{3-[3-(DIMETHYLAMINO)PROPYL]-
5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-
3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE		A3BE20.83
199N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-
1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE		A1ZYS0.73
LIH6-([5-QUINOLYLAMINO]METHYL)-2,4-
DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE		A1KMS0.73
PB5N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE-
4,6-DICARBOXAMIDE		A,B1XUR0.75
SR2(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-
6-yl}-4-(dimethylamino)but-2-enamide		A,B2QQ70.73
SR2(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-
6-yl}-4-(dimethylamino)but-2-enamide		A,B2QLQ0.73
1N8N-{2-[(N,N-DIETHYLGLYCYL)AMINO]-
5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-
3-[2-(METHYLAMINO)QUINAZOLIN-6-
YL]BENZAMIDE		A,B2OG80.77
3BA7-amino-2-tert-butyl-4-{[2-(1H-
imidazol-4-yl)ethyl]amino}pyrido[2,3-
d]pyrimidine-6-carboxamide		A3BAA0.71
BDCBIS-(9-OCTYLAMINO(2-DIMETHYLAMINOETHYL)ACRIDINE-
4-CARBOXAMIDE		A,B1K2L0.71
C523-(2-aminoquinazolin-6-yl)-4-methyl-
1-[3-(trifluoromethyl)phenyl]pyridin-
2(1H)-one		A,B3CPC0.81
UNN(6,7-DIFLUORO-QUINAZOLIN-4-YL)-
(1-METHYL-2,2-DIPHENYL-ETHYL)-AMINE		A,B,C5STD0.71
SC37-BENZYL-1,3-DIMETHYL-8-PIPERAZIN-
1-YL-3,7-DIHYDRO-PURINE-2,6-DIONE		A,B,C,D2AJ80.7
3568-[(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,B2RGU0.73
PB4N,N'-BIS(4-FLUORO-3-METHYLBENZYL)PYRIMIDINE-
4,6-DICARBOXAMIDE		A,B1XUD0.79
B141-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-
DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-
QUINAZOLINE]-4'-AMINE		A,B3E7T0.72
P40N-cyclopropyl-4-methyl-3-{2-[(2-
morpholin-4-ylethyl)amino]quinazolin-
6-yl}benzamide		A3DT10.75
FXGN-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamideA3DAJ0.74
MTXMETHOTREXATEA,B1DRB0.72
MTXMETHOTREXATEA,B,C,D2C7V0.72
MTXMETHOTREXATEA1U700.72
MTXMETHOTREXATEA,B,C,D1MXF0.72
MTXMETHOTREXATEA2QK80.72
MTXMETHOTREXATEA,B1RB30.72
MTXMETHOTREXATEA,B1DHJ0.72
MTXMETHOTREXATEA3DAU0.72
MTXMETHOTREXATEA1U720.72
MTXMETHOTREXATEA,B2DRC0.72
MTXMETHOTREXATEA,B1D1G0.72
MTXMETHOTREXATEA,B1DDR0.72
MTXMETHOTREXATEA,B1E7W0.72
MTXMETHOTREXATEA1RX30.72
MTXMETHOTREXATEA3DFR0.72
MTXMETHOTREXATEA,B,C,D1P330.72
MTXMETHOTREXATEA3DAT0.72
MTXMETHOTREXATEA,B1DHI0.72
MTXMETHOTREXATEA,B1TDR0.72
MTXMETHOTREXATEA,B1DRA0.72
MTXMETHOTREXATEA3EIG0.72
MTXMETHOTREXATEA3CD20.72
MTXMETHOTREXATEA1AO80.72
MTXMETHOTREXATEA1DF70.72
MTXMETHOTREXATEA1DLS0.72
MTXMETHOTREXATEA1RG70.72
MTXMETHOTREXATEA1RH30.72
MTXMETHOTREXATEA,B4DFR0.72
MTXMETHOTREXATEA1RA30.72
MTXMETHOTREXATEA,B1DDS0.72
MTXMETHOTREXATEA1DRE0.72
MTXMETHOTREXATEA,B1AXW0.72
MTXMETHOTREXATEA3CL90.72
MTXMETHOTREXATEA,B3DRC0.72
MTXMETHOTREXATEA,B,C,D,E2OIP0.72
8552-(6-methylpyridin-2-yl)-N-pyridin-
4-ylquinazolin-4-amine		A3HMM0.73
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A,B,C,D2HYY0.79
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A,B1IEP0.79
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A,B1OPJ0.79
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A1T460.79
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A3GVU0.79
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A2OIQ0.79
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A3FW10.79
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A2PL00.79
STI4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-
N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-
2-YLAMINO)-PHENYL]-BENZAMIDE		A1XBB0.79
7MP7-AMINO-1-METHYL-3-(2-METHYL-5-
{[3-(TRIFLUOROMETHYL)BENZOYL]AMINO}PHENYL)-
2-OXO-2,3-DIHYDROPYRIMIDO[4,5-D]PYRIMIDIN-
1-IUM		A,B2HIW0.79
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN20.74
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN10.74
0035-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN-
1-YLMETHYL)-3-PYRIDIN-4-YL-2H-PYRAZOLO[3,4-
D]PYRIMIDINE-4,6(5H,7H)-DIONE		A,B2JFZ0.71
7IG5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-
6-ETHYLPYRIMIDINE-2,4-DIAMINE		A2IKO0.74
7IG5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-
6-ETHYLPYRIMIDINE-2,4-DIAMINE		A2G240.74
THHN-[4-({[(6S)-2-AMINO-4-HYDROXY-
5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-
6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID		A,B3DCJ0.7
THHN-[4-({[(6S)-2-AMINO-4-HYDROXY-
5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-
6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID		A,B1WSV0.7
A4C9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N-
[2-(DIMETHYLAMINO)ETHYL]ACRIDINE-
4-CARBOXAMIDE}		A2GWA0.71
A4C9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N-
[2-(DIMETHYLAMINO)ETHYL]ACRIDINE-
4-CARBOXAMIDE}		A,B2GB90.71
C193-(2-aminoquinazolin-6-yl)-1-(3,3-
dimethylindolin-6-yl)-4-methylpyridin-
2(1H)-one		A,B3CP90.75
97B9-chloro-7-(2,6-difluorophenyl)-
N-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}-
5H-pyrimido[5,4-d][2]benzazepin-
2-amine		A,B,D3H100.73
MT1N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-
6-YL)METHYL](METHYL)AMINO}BENZOYL)-
L-GLUTAMIC ACID		A,B2INQ0.7
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		A2W170.76
L17L17A,B1Z710.72
CP76-ETHYL-5-PHENYLPYRIMIDINE-2,4-
DIAMINE		A2BLC0.72
CP76-ETHYL-5-PHENYLPYRIMIDINE-2,4-
DIAMINE		A2BLB0.72
DJKN-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-
6-YL]-ACRYLAMIDE		A2J5F0.7
DJKN-[4-(3-BROMO-PHENYLAMINO)-QUINAZOLIN-
6-YL]-ACRYLAMIDE		A,B2HWP0.7
L24[[[2-AMINO-5,6,7,8-TETRAHYDRO-4-
HYDROXY-PYRIDO[2,3-D]PYRIMIDIN-
6-YL]-ETHYL]-PHENYL]-CARBONYL-GLUTAMIC ACID		A,B1DIA0.7
PB3N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE-
4,6-DICARBOXAMIDE		A,B1XUC0.78
P5C2-{[(1R,2S)-2-aminocyclohexyl]amino}-
4-[(3-methylphenyl)amino]pyrimidine-
5-carboxamide		A3FQE0.71