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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00137377

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
G964-[2-(4-amino-2,5-dihydro-1,2,5-
oxadiazol-3-yl)-6-{[(2R)-2-amino-
3-phenylpropyl]oxy}-1-ethyl-1H-
imidazo[4,5-c]pyridin-4-yl]-2-methylbut-
3-en-2-ol
A,B,C,D,E,F3E8C0.71
G964-[2-(4-amino-2,5-dihydro-1,2,5-
oxadiazol-3-yl)-6-{[(2R)-2-amino-
3-phenylpropyl]oxy}-1-ethyl-1H-
imidazo[4,5-c]pyridin-4-yl]-2-methylbut-
3-en-2-ol
A,B3E880.71
ST84-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-
5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE
A,B,C,D1OGU0.7
G6GN-{3-[(3-{4-[(4-methoxyphenyl)amino]-
1,3,5-triazin-2-yl}pyridin-2-yl)amino]-
4-methylphenyl}-4-[(4-methylpiperazin-
1-yl)methyl]benzamide
A,B3G6G0.7
PZF(3R,4S)-1-[6-(6-METHOXYPYRIDIN-
3-YL)PYRIMIDIN-4-YL]-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-
3-AMINE
A,B2QJR0.71
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine
A3FQ00.72
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine
A,B3E0B0.72
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine
A2KGK0.72
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine
A,B3CSE0.72
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine
A3FQO0.72
W113-{3,5-DIMETHYL-4-[3-(3-METHYL-
ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-
5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE
A,D1NCR0.78
W113-{3,5-DIMETHYL-4-[3-(3-METHYL-
ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-
5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE
A1NA10.78
W113-{3,5-DIMETHYL-4-[3-(3-METHYL-
ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-
5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE
A1ND30.78
W113-{3,5-DIMETHYL-4-[3-(3-METHYL-
ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-
5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE
11C8M0.78
W113-{3,5-DIMETHYL-4-[3-(3-METHYL-
ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-
5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE
A1NCQ0.78
3B9N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-
7-yl)-2-methylpropyl]-4-phenoxybenzamide
A3BAC0.74
3B9N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-
7-yl)-2-methylpropyl]-4-phenoxybenzamide
A3BA90.74
DX82-amino-6-(4-methoxyphenyl)-4-oxo-
4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-
5-carbonitrile
A,B,C,D3BMK0.74
1SMMETHYL 2-[({[(4,6-DIMETHYLPYRIMIDIN-
2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE
A,B1T9C0.72
1SMMETHYL 2-[({[(4,6-DIMETHYLPYRIMIDIN-
2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE
A1YI00.72
G984-[2-(4-amino-2,5-dihydro-1,2,5-
oxadiazol-3-yl)-6-{[(1S)-3-amino-
1-phenylpropyl]oxy}-1-ethyl-1H-
imidazo[4,5-c]pyridin-4-yl]-2-methylbut-
3-en-2-ol
A,B,E,I,L,P3E8E0.72
G984-[2-(4-amino-2,5-dihydro-1,2,5-
oxadiazol-3-yl)-6-{[(1S)-3-amino-
1-phenylpropyl]oxy}-1-ethyl-1H-
imidazo[4,5-c]pyridin-4-yl]-2-methylbut-
3-en-2-ol
A,B3E8D0.72
7IP6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHQ0.73
T121-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]-
1H-BENZIMIDAZOL-5-YL PIVALATE
A,B,C,D2NRU0.71
BZCA1EFY0.75
COG2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-
N-METHYLAMINO]QUINAZOLINE
A1LY30.7
MR62-(3,5-DIMETHYLPHENYL)-1,3-BENZOXAZOLEA,B2QGE0.71