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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02169785

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AM96-(2,6-dimethylphenyl)-2-{[4-(4-
methylpiperazin-1-yl)phenyl]amino}pyrimido[5',4':5,6]pyrimido[1,2-
a]benzimidazol-5(6H)-one
A3BYO0.74
DF1(2R)-1-[(5,6-DIPHENYL-7H-PYRROLO[2,3-
D]PYRIMIDIN-4-YL)AMINO]PROPAN-2-
OL
A2BRN0.71
3DD(2R,3R)-4-(4-AMINO-1H-IMIDAZO[4,5-
C]PYRIDIN-1-YL)-2,3-DIHYDROXYBUTANOIC ACID
A,B,C,D,E,F,
G,H
2H5L0.71
C243-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-
5-CARBONYL}-PYRIDIN-2-YL-AMINO)-
PROPIONIC ACID ETHYL ESTER
B,C1KTS0.73
8FGN-(5'-PHOSPHO-2'-DEOXYGUANOSIN-
8-YL)-2-ACETYLAMINOFLUORENE
A,C,D1X9M0.71
AD5N~6~-cyclohexyl-N~2~-(4-morpholin-
4-ylphenyl)-9H-purine-2,6-diamine
A,B2VGO0.77
199N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-
1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE
A1ZYS0.71
3568-[(3R)-3-Aminopiperidin-1-yl]-
7-but-2-yn-1-yl-3-methyl-1-[(4-
methylquinazolin-2-yl)methyl]-3,7-
dihydro-1H-purine-2,6-dione
A,B2RGU0.79
BPG9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINEA,B1QHI0.86
CF22'-deoxy-5'-O-{[2-(7,8-dimethyl-
2,4-dioxo-3,4-dihydrobenzo[g]pteridin-
10(2H)-yl)ethyl]carbamoyl}guanosine
A2VKF0.74
3INN-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-
3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO-
CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)-
3-CHLORO-PYRAZINYL-5-CARBONYL)-
PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL-
PENTANAMIDE
B2BPZ0.71
3INN-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-
3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO-
CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)-
3-CHLORO-PYRAZINYL-5-CARBONYL)-
PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL-
PENTANAMIDE
B2BPY0.71
3INN-[2(S)-CYCLOPENTYL-1(R)-HYDROXY-
3(R)METHYL]-5-[(2(S)-TERTIARY-BUTYLAMINO-
CARBONYL)-4-(N1-(2)-(N-METHYLPIPERAZINYL)-
3-CHLORO-PYRAZINYL-5-CARBONYL)-
PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYL-
PENTANAMIDE
B1C6X0.71
AP9(2S)-2-({6-[(3-AMINO-5-CHLOROPHENYL)AMINO]-
9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL
B2F2C0.75
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE
A2IZT0.72
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE
A2CDZ0.72
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE
A,B2F570.72
FOLFOLIC ACIDA1PJ60.7
FOLFOLIC ACIDA,B1RD70.7
FOLFOLIC ACIDA,B1DHF0.7
FOLFOLIC ACIDA,B,C,D,E1QZF0.7
FOLFOLIC ACIDA4CD20.7
FOLFOLIC ACIDA1RX70.7
FOLFOLIC ACIDA1RX20.7
FOLFOLIC ACIDA1RX80.7
FOLFOLIC ACIDA1RA20.7
FOLFOLIC ACIDA,B1RE70.7
FOLFOLIC ACIDA7DFR0.7
FOLFOLIC ACIDA1VIF0.7
FOLFOLIC ACIDA,B1RB20.7
FOLFOLIC ACIDA1CD20.7
FOLFOLIC ACIDA2CD20.7
FOLFOLIC ACIDA,B1DYI0.7
FOLFOLIC ACIDA1DRF0.7
FOLFOLIC ACIDA,B,C,D3BMC0.7
FOLFOLIC ACIDA,B2D0K0.7
FOLFOLIC ACIDA1RA80.7
24A{[(4-{[2-(4-AMINOCYCLOHEXYL)-9-
ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID
A,B2BDF0.72
FAOA,B2JBV0.72
AAItrans-4-(7-carbamoyl-1H-benzimidazol-
2-yl)-1-propylpiperidinium
A2RCW0.71
6852-{2-[(3,5-dimethylphenyl)amino]pyrimidin-
4-yl}-N-[(1S)-2-hydroxy-1-methylethyl]-
4-methyl-1,3-thiazole-5-carboxamide
A3EMG0.7
BMI3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-
1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-
2-YLMETHYL)AMINO]PYRIDIN-2(1H)-
ONE
A2OJ90.72