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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00090390

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
53R5-[(3R)-3-(5-methoxybiphenyl-3-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine
X3F0B0.76
53R5-[(3R)-3-(5-methoxybiphenyl-3-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine
X3F0U0.76
DD35-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-
2,4-diamine
A,B3BLA0.73
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine
A3FQ00.77
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine
A,B3E0B0.77
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine
A2KGK0.77
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine
A,B3CSE0.77
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine
A3FQO0.77
MQ15-(4-METHOXYPHENOXY)-2,4-QUINAZOLINEDIAMINEA,B1M790.7
PU49-BUTYL-8-(4-METHOXYBENZYL)-9H-
PURIN-6-AMINE
A1UY70.71
7IP6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHQ0.71
LII(Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN-
1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-
D]PYRIMIDINE
A1KMV0.71
55V6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-
1-yn-1-yl]pyrimidine-2,4-diamine
A,B3FQC0.72
55V6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-
1-yn-1-yl]pyrimidine-2,4-diamine
A3FQF0.72
AX66-[(4-methoxybenzyl)sulfanyl]pyrimidine-
2,4-diamine
A,B,C,D3BMR0.81
11F5-[(3S)-3-(2-methoxybiphenyl-4-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine
A3FQV0.76
11F5-[(3S)-3-(2-methoxybiphenyl-4-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine
A3FQZ0.76
LZK6-(2,6-DIMETHOXYPHENYL)PYRIDO[2,3-
D]PYRIMIDINE-2,7-DIAMINE
A,B2V590.7
5AP5-(AMINOMETHYL)-6-(2,4-DICHLOROPHENYL)-
2-(3,5-DIMETHOXYPHENYL)PYRIMIDIN-
4-AMINE
A,B1RWQ0.75
65B4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-
4-YL}OXY)-3,5-DIMETHYLBENZONITRILE
A1SV50.71
MXA6-(2,5-DIMETHOXY-BENZYL)-5-METHYL-
PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE
A1U710.71
MXA6-(2,5-DIMETHOXY-BENZYL)-5-METHYL-
PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE
A1DLR0.71
TOPTRIMETHOPRIMA1DG50.74
TOPTRIMETHOPRIMA,B,C,D,E,F2W9S0.74
TOPTRIMETHOPRIMA,B,C,D2BFM0.74
TOPTRIMETHOPRIMA2W9G0.74
TOPTRIMETHOPRIMA,B,C,D,E,F,
G,H
3FL90.74
TOPTRIMETHOPRIMA1DYR0.74
TOPTRIMETHOPRIMA2W9H0.74
TRR2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-
BENZYL)-PYRIMIDIN-1-IUM
A1YHO0.72
TRR2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-
BENZYL)-PYRIMIDIN-1-IUM
A1LUD0.72
TRR2,4-DIAMINO-5-(3,4,5-TRIMETHOXY-
BENZYL)-PYRIMIDIN-1-IUM
A2HM90.72