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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03121775

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CK8N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-
PYRIMIDIN-2-YL]-N',N'-DIMETHYL-
BENZENE-1,4-DIAMINE
A,C2C5N0.74
CK8N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-
PYRIMIDIN-2-YL]-N',N'-DIMETHYL-
BENZENE-1,4-DIAMINE
A1PXP0.74
JN5(2S)-1,3-benzothiazol-2-yl{2-[(2-
pyridin-3-ylethyl)amino]pyrimidin-
4-yl}ethanenitrile
A3CY30.74
N1TA,B1TKB0.73
S115-(3,5-DICHLOROPHENYL)THIO-4-ISOPROPYL-
1-(PYRIDIN-4-YL-METHYL)-1H-IMIDAZOL-
2-YL-METHYL CARBAMATE
A1EP40.7
CK24-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-
2-AMINE
A,C2C5O0.71
CK24-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-
2-AMINE
A1PXJ0.71
D7K3-[(4-amino-2-methylpyrimidin-5-
yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-
5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-
4-methyl-1,3-thiazol-3-ium
A,B,C,D3FZN0.71
D7K3-[(4-amino-2-methylpyrimidin-5-
yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-
5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-
4-methyl-1,3-thiazol-3-ium
A,B3D7K0.71
D7K3-[(4-amino-2-methylpyrimidin-5-
yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-
5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-
4-methyl-1,3-thiazol-3-ium
X3FSJ0.71
6852-{2-[(3,5-dimethylphenyl)amino]pyrimidin-
4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-
4-methyl-1,3-thiazole-5-carboxamide
A3EMG0.71
AK71-(5-{2-[(6-amino-5-bromopyrimidin-
4-yl)amino]ethyl}-1,3-thiazol-2-
yl)-3-[3-(trifluoromethyl)phenyl]urea
A3DJ70.73
GAX1-{3-[(4-pyridin-2-ylpiperazin-
1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-
2-yl)urea
A2RHQ0.71
GAX1-{3-[(4-pyridin-2-ylpiperazin-
1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-
2-yl)urea
A,B,C,D2RHS0.71
8PA3-[(4-amino-2-methylpyrimidin-5-
yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-
2-[(1S,2E)-1-hydroxy-3-pyridin-
3-ylprop-2-en-1-yl]-4-methyl-1,3-
thiazol-3-ium
X3F6E0.73
8PA3-[(4-amino-2-methylpyrimidin-5-
yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-
2-[(1S,2E)-1-hydroxy-3-pyridin-
3-ylprop-2-en-1-yl]-4-methyl-1,3-
thiazol-3-ium
X3F6B0.73
AK11-{5-[2-(thieno[3,2-d]pyrimidin-
4-ylamino)ethyl]-1,3-thiazol-2-
yl}-3-[3-(trifluoromethyl)phenyl]urea
A3D140.71
TQ65-(4-MORPHOLIN-4-YL-PHENYLSULFANYL)-
2,4-QUINAZOLINEDIAMINE
A,B1IA40.72
THWC2-1-HYDROXYPHENYL-THIAMIN DIPHOSPHATEA,B2BEW0.71
89I5-[4-(DIMETHYLAMINO)PHENYL]-6-[(6-
MORPHOLIN-4-YLPYRIDIN-3-YL)ETHYNYL]PYRIMIDIN-
4-AMINE
A,B2I6B0.73
MTZ4-METHYL-5-{(2E)-2-[(4-MORPHOLIN-
4-YLPHENYL)IMINO]-2,5-DIHYDROPYRIMIDIN-
4-YL}-1,3-THIAZOL-2-AMINE
A,C,E,F2UUE0.75
CK44-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-
N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-
2-AMINE
A1PXL0.75
CK44-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-
N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-
2-AMINE
A,C,F,H2C5V0.75
Q742-(3-((4,5,7-trifluorobenzo[d]thiazol-
2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-
1-yl)acetic acid
A3G5E0.73