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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03428041

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MQ15-(4-METHOXYPHENOXY)-2,4-QUINAZOLINEDIAMINEA,B1M790.73
1N92,6-DIMETHYLPHENYL 2-(3,5-DIMETHOXY-
4-(3-(4-METHYLPIPERAZIN-1-YL)PROPOXY)PHENYLAMINO)PYRIMIDIN-
4-YL(2,4-DIMETHOXYPHENYL)CARBAMATE		A2OFU0.73
3511-(3-{5-[4-(aminomethyl)phenyl]-
1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-
3-(2-phenoxyphenyl)urea		A,B3ETA0.7
COQ2,4-DIAMINO-6-[N-(3',5'-DIMETHOXYBENZYL)-
N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE		A1LY40.83
TRR2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-
BENZYL)-PYRIMIDIN-1-IUM		A1YHO0.9
TRR2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-
BENZYL)-PYRIMIDIN-1-IUM		A1LUD0.9
TRR2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-
BENZYL)-PYRIMIDIN-1-IUM		A2HM90.9
RAR5-(3,4-dimethoxy-5-{(1E)-3-oxo-
3-[(1S)-1-propylphthalazin-2(1H)-
yl]prop-1-en-1-yl}benzyl)pyrimidine-
2,4-diamine		A,B,C,D,E,F,
G,H		3FL80.76
215(1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-
1-ONE OXIME		A,B2FB80.71
MFQ((2-BROMO-4-METHYLPHENYL){6-[(4-
{[(2S)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)ACETONITRILE		A1H070.71
PU59-BUTYL-8-(3-METHOXYBENZYL)-9H-
PURIN-6-AMINE		A1UY80.76
9944-(2-anilinopyridin-3-yl)-N-(3,4,5-
trimethoxyphenyl)-1,3,5-triazin-
2-amine		A2P2H0.76
PD11-TERT-BUTYL-3-[6-(3,5-DIMETHOXY-
PHENYL)-2-(4-DIETHYLAMINO-BUTYLAMINO)-
PYRIDO[2,3-D]PYRIMIDIN-7-YL]-UREA		A,B2FGI0.83
11F5-[(3S)-3-(2-methoxybiphenyl-4-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine		A3FQV0.78
11F5-[(3S)-3-(2-methoxybiphenyl-4-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine		A3FQZ0.78
AQ4[6,7-BIS(2-METHOXY-ETHOXY)QUINAZOLINE-
4-YL]-(3-ETHYNYLPHENYL)AMINE		A1M170.71
BWP(2S)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN-
2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN-
2-OL		A1H080.73
3IP3-(BENZYLOXY)PYRIDIN-2-AMINEA1W7H0.77
QQ2[(2-CHLORO-5-METHYLPHENYL){6-[(4-
{[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO]ACETONITRILE		A,B,C,D2IW60.71
BDMBRODIMOPRIM-4,6-DICARBOXYLATEA1DIU0.84
BDMBRODIMOPRIM-4,6-DICARBOXYLATEA1DIS0.84
PRDN6-(2,5-DIMETHOXY-BENZYL)-N6-METHYL-
PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE		A1BOZ0.78
9IPN~3~-[3-(5-METHOXYPYRIDIN-3-YL)BENZYL]PYRIDINE-
2,3-DIAMINE		A2OHS0.72
KS41-cyclobutyl-3-(3,4-dimethoxyphenyl)-
1H-pyrazolo[3,4-d]pyrimidin-4-amine		A,B3EN50.73
PUZ8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-
9-PENT-9H-PURIN-6-YLAMINE		A1UYI0.72
DTM2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)-
N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE		A1MVS0.79
DTM2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)-
N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE		A1MVT0.79
LZK6-(2,6-DIMETHOXYPHENYL)PYRIDO[2,3-
D]PYRIMIDINE-2,7-DIAMINE		A,B2V590.87
PC01-[2-(4-ETHOXY-3-FLUOROPYRIDIN-
2-YL)ETHYL]-3-(5-METHYLPYRIDIN-
2-YL)THIOUREA		A2HNZ0.72
DH3A2FZJ0.82
DH3A2FZI0.82
R862-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-
6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN-
2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE		A2ORP0.72
65B4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-
4-YL}OXY)-3,5-DIMETHYLBENZONITRILE		A1SV50.72
FCP(2R)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-
2-OL		A1H000.71
CO42,4-DIAMINO-5-METHYL-6-[(3,4,5-
TRIMETHOXY-N-METHYLANILINO)METHYL]PYRIDO[2,3-
D]PYRIMIDINE		A1PD80.77
CO42,4-DIAMINO-5-METHYL-6-[(3,4,5-
TRIMETHOXY-N-METHYLANILINO)METHYL]PYRIDO[2,3-
D]PYRIMIDINE		A1PD90.77
55V6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-
1-yn-1-yl]pyrimidine-2,4-diamine		A,B3FQC0.8
55V6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-
1-yn-1-yl]pyrimidine-2,4-diamine		A3FQF0.8
SAVN~4~-(3-methyl-1H-indazol-6-yl)-
N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-
2,4-diamine		A3CJF0.71
FAP(2S)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-
2-OL		A1H000.71
C4F3-(3-methoxybenzyl)-1H-pyrrolo[2,3-
b]pyridine		A,B3C4F0.76
S031-{4-[4-AMINO-5-(3-METHOXYPHENYL)-
7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL]BENZYL}PIPERIDIN-
4-OL		A,B1YOL0.75
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)		A,D,U,X1FM60.72
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)		A,B2PRG0.72
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)		A1ZGY0.72
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)		A,B3CS80.72
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)		A,D3DZY0.72
5IG6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-4-(3-METHOXYPROPYL)-2,2-DIMETHYL-
2H-1,4-BENZOXAZIN-3(4H)-ONE		A,B2G1Y0.72
MXA6-(2,5-DIMETHOXY-BENZYL)-5-METHYL-
PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE		A1U710.83
MXA6-(2,5-DIMETHOXY-BENZYL)-5-METHYL-
PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE		A1DLR0.83
5AP5-(AMINOMETHYL)-6-(2,4-DICHLOROPHENYL)-
2-(3,5-DIMETHOXYPHENYL)PYRIMIDIN-
4-AMINE		A,B1RWQ0.78
BYP(2R)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN-
2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN-
2-OL		A1H080.73
PZF(3R,4S)-1-[6-(6-METHOXYPYRIDIN-
3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-
3-AMINE		A,B2QJR0.75
LI43-(1-NAPHTHYLMETHOXY)PYRIDIN-2-
AMINE		A1WBW0.74
LIA(4-AMINO-2-{[1-(METHYLSULFONYL)PIPERIDIN-
4-YL]AMINO}PYRIMIDIN-5-YL)(2,3-
DIFLUORO-6-METHOXYPHENYL)METHANONE		A2FVD0.72
MHR4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-
3-yl)pyrimidin-2-amine		A,B,C,D3BHU0.74
PO5(2S)-1-(dimethylamino)-3-(4-{[4-
(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-
3-yl)pyrimidin-2-yl]amino}phenoxy)propan-
2-ol		A3EID0.7
MFP((2-BROMO-4-METHYLPHENYL){6-[(4-
{[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)ACETONITRILE		A1H070.71
MFR4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-
3-yl)pyrimidin-2-amine		A,B,C,D3BHT0.72
COG2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-
N-METHYLAMINO]QUINAZOLINE		A1LY30.75
FPTN-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-
N'-[5-NITRILOMETHYL-PYRIDYL]-THIOUREA		A1DTQ0.7
PU49-BUTYL-8-(4-METHOXYBENZYL)-9H-
PURIN-6-AMINE		A1UY70.75
TMQTRIMETREXATEA,B,C,D3CLB0.71
TMQTRIMETREXATEA1BZF0.71
TMQTRIMETREXATEA,B,C,D3HBB0.71
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine		A3FQ00.8
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine		A,B3E0B0.8
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine		A2KGK0.8
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine		A,B3CSE0.8
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine		A3FQO0.8
53R5-[(3R)-3-(5-methoxybiphenyl-3-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine		X3F0B0.77
53R5-[(3R)-3-(5-methoxybiphenyl-3-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine		X3F0U0.77
AK81-[3-methyl-4-({3-[2-(methylamino)pyrimidin-
4-yl]pyridin-2-yl}oxy)phenyl]-3-
[3-(trifluoromethyl)phenyl]urea		A,B3EFW0.74
3FP(2R)-1-(DIMETHYLAMINO)-3-{4-[(6-
{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-
4-YL)AMINO]PHENOXY}PROPAN-2-OL		A1V1K0.73
PU68-BENZO[1,3]DIOXOL-,5-YLMETHYL-
9-BUTYL-9H-		A1UY90.72
PU39-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)-
9H-PURIN-6-AMINE		A1UYM0.78
PU39-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)-
9H-PURIN-6-AMINE		A1UY60.78
PU79-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-
9H-PURIN-6-YLAMINE		A1UYC0.76
7IP6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-
2-AMINE		A2OHQ0.72
KIMN~4~-methyl-N~4~-(3-methyl-1H-indazol-
6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-
2,4-diamine		A3CJG0.71
DH12,4-DIAMINO-5-[2-METHOXY-5-(4-CARBOXYBUTYLOXY)BENZYL]PYRIMIDINEA2FZH0.87
SDZ1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)-
PROPYL]-4-(2-PYRIDYL)-PIPERAZINE		11HRV0.75
PU89-BUTYL-8-(2-CHLORO-3,4,5-TRIMETHOXY-
BENZYL)-9H-PURIN-6-YLAMINE		A1UYD0.73
3IGN-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-
4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE		A,B2G1R0.7
LIC3-(2-CHLOROBENZYL)-1-(2-{[(1S)-
2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-
4-YL)-1-(4-METHOXYPHENYL)UREA		A2GHM0.71
PU98-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-
9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE		A1UYE0.71
DD35-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-
2,4-diamine		A,B3BLA0.71
PU09-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-
2-FLUORO-9H-PURIN-6-YLAMINE		A1UYH0.74
AZOMETHYL (2Z)-2-(2-{[6-(2-CYANOPHENOXY)PYRIMIDIN-
4-YL]OXY}PHENYL)-3-METHOXYACRYLATE		C,D,E1SQB0.74
7PY7-PYRIDIN-2-YL-N-(3,4,5-TRIMETHOXYPHENYL)-
7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE		A,B2ETM0.73
4MR5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-
2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)-
TRIONE		A,B2OVX0.71
TOPTRIMETHOPRIMA1DG50.93
TOPTRIMETHOPRIMA,B,C,D,E,F2W9S0.93
TOPTRIMETHOPRIMA,B,C,D2BFM0.93
TOPTRIMETHOPRIMA2W9G0.93
TOPTRIMETHOPRIMA,B,C,D,E,F,
G,H		3FL90.93
TOPTRIMETHOPRIMA1DYR0.93
TOPTRIMETHOPRIMA2W9H0.93
DD15-{[1-(2-fluorobenzyl)piperidin-
4-yl]methoxy}quinazoline-2,4-diamine		A3BL70.72
PFP2-[5,6-BIS-(4-METHOXY-PHENYL)-FURO[2,3-
D]PYRIMIDIN-4-YLAMINO]-ETHANOL		A2BR10.71
LII(Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN-
1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-
D]PYRIMIDINE		A1KMV0.82