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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02620056

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
11F5-[(3S)-3-(2-methoxybiphenyl-4-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine		A3FQV0.77
11F5-[(3S)-3-(2-methoxybiphenyl-4-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine		A3FQZ0.77
9IPN~3~-[3-(5-METHOXYPYRIDIN-3-YL)BENZYL]PYRIDINE-
2,3-DIAMINE		A2OHS0.74
R862-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-
6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN-
2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE		A2ORP0.74
MFR4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-
3-yl)pyrimidin-2-amine		A,B,C,D3BHT0.76
9944-(2-anilinopyridin-3-yl)-N-(3,4,5-
trimethoxyphenyl)-1,3,5-triazin-
2-amine		A2P2H0.71
TRR2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-
BENZYL)-PYRIMIDIN-1-IUM		A1YHO0.83
TRR2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-
BENZYL)-PYRIMIDIN-1-IUM		A1LUD0.83
TRR2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-
BENZYL)-PYRIMIDIN-1-IUM		A2HM90.83
PU59-BUTYL-8-(3-METHOXYBENZYL)-9H-
PURIN-6-AMINE		A1UY80.76
DH3A2FZJ0.81
DH3A2FZI0.81
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)		A,D,U,X1FM60.76
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)		A,B2PRG0.76
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)		A1ZGY0.76
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)		A,B3CS80.76
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)		A,D3DZY0.76
PU79-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-
9H-PURIN-6-YLAMINE		A1UYC0.74
C4F3-(3-methoxybenzyl)-1H-pyrrolo[2,3-
b]pyridine		A,B3C4F0.79
BYP(2R)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN-
2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN-
2-OL		A1H080.71
LZK6-(2,6-DIMETHOXYPHENYL)PYRIDO[2,3-
D]PYRIMIDINE-2,7-DIAMINE		A,B2V590.81
3FP(2R)-1-(DIMETHYLAMINO)-3-{4-[(6-
{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-
4-YL)AMINO]PHENOXY}PROPAN-2-OL		A1V1K0.71
LIC3-(2-CHLOROBENZYL)-1-(2-{[(1S)-
2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-
4-YL)-1-(4-METHOXYPHENYL)UREA		A2GHM0.72
65B4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-
4-YL}OXY)-3,5-DIMETHYLBENZONITRILE		A1SV50.72
BDMBRODIMOPRIM-4,6-DICARBOXYLATEA1DIU0.73
BDMBRODIMOPRIM-4,6-DICARBOXYLATEA1DIS0.73
MQ15-(4-METHOXYPHENOXY)-2,4-QUINAZOLINEDIAMINEA,B1M790.72
S031-{4-[4-AMINO-5-(3-METHOXYPHENYL)-
7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL]BENZYL}PIPERIDIN-
4-OL		A,B1YOL0.73
DTQ4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINEA1DI80.71
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine		A3FQ00.78
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine		A,B3E0B0.78
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine		A2KGK0.78
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine		A,B3CSE0.78
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine		A3FQO0.78
ABJ3-[4-AMINO-1-(1-METHYLETHYL)-1H-
PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL		A3EN70.71
ABJ3-[4-AMINO-1-(1-METHYLETHYL)-1H-
PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL		A2V4L0.71
3IP3-(BENZYLOXY)PYRIDIN-2-AMINEA1W7H0.78
KS41-cyclobutyl-3-(3,4-dimethoxyphenyl)-
1H-pyrazolo[3,4-d]pyrimidin-4-amine		A,B3EN50.74
PRDN6-(2,5-DIMETHOXY-BENZYL)-N6-METHYL-
PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE		A1BOZ0.77
PU39-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)-
9H-PURIN-6-AMINE		A1UYM0.72
PU39-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)-
9H-PURIN-6-AMINE		A1UY60.72
ALH6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINEA,B1UNG0.71
MHR4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-
3-yl)pyrimidin-2-amine		A,B,C,D3BHU0.74
TOPTRIMETHOPRIMA1DG50.86
TOPTRIMETHOPRIMA,B,C,D,E,F2W9S0.86
TOPTRIMETHOPRIMA,B,C,D2BFM0.86
TOPTRIMETHOPRIMA2W9G0.86
TOPTRIMETHOPRIMA,B,C,D,E,F,
G,H		3FL90.86
TOPTRIMETHOPRIMA1DYR0.86
TOPTRIMETHOPRIMA2W9H0.86
LII(Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN-
1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-
D]PYRIMIDINE		A1KMV0.81
DH12,4-DIAMINO-5-[2-METHOXY-5-(4-CARBOXYBUTYLOXY)BENZYL]PYRIMIDINEA2FZH0.8
PD11-TERT-BUTYL-3-[6-(3,5-DIMETHOXY-
PHENYL)-2-(4-DIETHYLAMINO-BUTYLAMINO)-
PYRIDO[2,3-D]PYRIMIDIN-7-YL]-UREA		A,B2FGI0.75
DTM2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)-
N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE		A1MVS0.73
DTM2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)-
N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE		A1MVT0.73
PU09-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-
2-FLUORO-9H-PURIN-6-YLAMINE		A1UYH0.72
1HP4-(2-amino-1-methyl-1H-imidazo[4,5-
b]pyridin-6-yl)phenol		A,B2QSE0.72
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
7IP6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-
2-AMINE		A2OHQ0.73
MSQ4-[3-METHYLSULFANYLANILINO]-6,7-
DIMETHOXYQUINAZOLINE		A1DI90.71
AB33-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-
D]PYRIMIDIN-3-YL)PHENOL		A3BHJ0.71
AB33-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-
D]PYRIMIDIN-3-YL)PHENOL		A3BHM0.71
AB33-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-
D]PYRIMIDIN-3-YL)PHENOL		A1WMA0.71
PU68-BENZO[1,3]DIOXOL-,5-YLMETHYL-
9-BUTYL-9H-		A1UY90.72
5IG6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-4-(3-METHOXYPROPYL)-2,2-DIMETHYL-
2H-1,4-BENZOXAZIN-3(4H)-ONE		A,B2G1Y0.7
COG2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-
N-METHYLAMINO]QUINAZOLINE		A1LY30.73
LI43-(1-NAPHTHYLMETHOXY)PYRIDIN-2-
AMINE		A1WBW0.75
COQ2,4-DIAMINO-6-[N-(3',5'-DIMETHOXYBENZYL)-
N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE		A1LY40.75
5AP5-(AMINOMETHYL)-6-(2,4-DICHLOROPHENYL)-
2-(3,5-DIMETHOXYPHENYL)PYRIMIDIN-
4-AMINE		A,B1RWQ0.72
SDZ1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)-
PROPYL]-4-(2-PYRIDYL)-PIPERAZINE		11HRV0.73
CO42,4-DIAMINO-5-METHYL-6-[(3,4,5-
TRIMETHOXY-N-METHYLANILINO)METHYL]PYRIDO[2,3-
D]PYRIMIDINE		A1PD80.71
CO42,4-DIAMINO-5-METHYL-6-[(3,4,5-
TRIMETHOXY-N-METHYLANILINO)METHYL]PYRIDO[2,3-
D]PYRIMIDINE		A1PD90.71
LIA(4-AMINO-2-{[1-(METHYLSULFONYL)PIPERIDIN-
4-YL]AMINO}PYRIMIDIN-5-YL)(2,3-
DIFLUORO-6-METHOXYPHENYL)METHANONE		A2FVD0.75
PC01-[2-(4-ETHOXY-3-FLUOROPYRIDIN-
2-YL)ETHYL]-3-(5-METHYLPYRIDIN-
2-YL)THIOUREA		A2HNZ0.71
PUZ8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-
9-PENT-9H-PURIN-6-YLAMINE		A1UYI0.71
55V6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-
1-yn-1-yl]pyrimidine-2,4-diamine		A,B3FQC0.73
55V6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-
1-yn-1-yl]pyrimidine-2,4-diamine		A3FQF0.73
PU49-BUTYL-8-(4-METHOXYBENZYL)-9H-
PURIN-6-AMINE		A1UY70.78
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		3FL80.75
BWP(2S)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN-
2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN-
2-OL		A1H080.71
AK81-[3-methyl-4-({3-[2-(methylamino)pyrimidin-
4-yl]pyridin-2-yl}oxy)phenyl]-3-
[3-(trifluoromethyl)phenyl]urea		A,B3EFW0.72
AX66-[(4-methoxybenzyl)sulfanyl]pyrimidine-
2,4-diamine		A,B,C,D3BMR0.82
PZF(3R,4S)-1-[6-(6-METHOXYPYRIDIN-
3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-
3-AMINE		A,B2QJR0.77
MXA6-(2,5-DIMETHOXY-BENZYL)-5-METHYL-
PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE		A1U710.81
MXA6-(2,5-DIMETHOXY-BENZYL)-5-METHYL-
PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE		A1DLR0.81