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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02784995

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
G142-phenyl-1H-imidazole-4-carboxylic acidA,B3GRJ0.71
L1C(2R,4S)-N^1^-(4-chlorophenyl)-4-
(2,4-difluorophenyl)-4-hydroxy-
N^2^-(2-oxo-2H-1,3'-bipyridin-6'-
yl)pyrrolidine-1,2-dicarboxamide		A2W3I0.73
TFG2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-
5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-
7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-
1,1-DIOL		A,B2VQQ0.72
TFG2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-
5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-
7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-
1,1-DIOL		A,B2VQO0.72
TFG2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-
5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-
7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-
1,1-DIOL		A2VQJ0.72
IQA(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN-
7-YL)-ACETIC ACID		A1OM10.71
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID		A1OHJ0.76
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID		A1OHK0.76
FR81-((1R)-1-(HYDROXYMETHYL)-3-{6-
[(5-PHENYLPENTANOYL)AMINO]-1H-INDOL-
1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE		A1QXL0.71
C1BH2B7D0.72
OQB4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-METHYL}-PYRIDINE-
3-CARBONYL)-AMINO]-BUTYRIC ACID		A1RWW0.72
PD8PHOSPHORYLATED DIHYDROPTEROATEA1W780.72
MMG4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-yl)benzoic acid		A3HDM0.72
S91[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENYL]ACETIC ACID		A2Z8C0.75
S91[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENYL]ACETIC ACID		A2Z7L0.75
T121-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]-
1H-BENZIMIDAZOL-5-YL PIVALATE		A,B,C,D2NRU0.74
C243-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-
5-CARBONYL}-PYRIDIN-2-YL-AMINO)-
PROPIONIC ACID ETHYL ESTER		B,C1KTS0.75
AGNA1GNP0.73
IFCN-[2-methyl-5-({[3-(4-methyl-1H-
imidazol-1-yl)-5-(trifluoromethyl)phenyl]carbonyl}amino)phenyl]isoxazole-
5-carboxamide		A3DZQ0.74
PLB2-[(2,4-DICHLOROBENZOYL)AMINO]-
5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID		A,D3DZU0.7
PLB2-[(2,4-DICHLOROBENZOYL)AMINO]-
5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID		B2Q6S0.7
PLB2-[(2,4-DICHLOROBENZOYL)AMINO]-
5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID		X1WM00.7
ONM3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE-
5'-TRIPHOSPHATE		A,C1TL70.72
ONM3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE-
5'-TRIPHOSPHATE		A,C1U0H0.72
FR51-((1R)-1-(HYDROXYMETHYL)-3-(6-
((3-(1-METHYL-1H-BENZIMIDAZOL-2-
YL)PROPANOYL)AMINO)-1H-INDOL-1-
YL)PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE		A1NDZ0.7
I19N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-
1-yl]carbonyl}phenyl)-5-fluoro-
4-[2-methyl-1-(1-methylethyl)-1H-
imidazol-5-yl]pyrimidin-2-amine		A2W170.7
NILNilotinibA,B,C,D3CS90.72
NILNilotinibA3GP00.72
FR41-((1R)-1-(HYDROXYMETHYL)-3-{6-
[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-
1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE		A1UML0.72
P166-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-
8-METHYLPYRIDO[2,3-D]PYRIMIDIN-
7(8H)-ONE		A2FO00.71
P166-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-
8-METHYLPYRIDO[2,3-D]PYRIMIDIN-
7(8H)-ONE		A1OPK0.71
P166-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-
8-METHYLPYRIDO[2,3-D]PYRIMIDIN-
7(8H)-ONE		A,B1OPL0.71
P166-(2,6-DICHLOROPHENYL)-2-{[3-(HYDROXYMETHYL)PHENYL]AMINO}-
8-METHYLPYRIDO[2,3-D]PYRIMIDIN-
7(8H)-ONE		A,B2G2H0.71
MTXMETHOTREXATEA,B1DRB0.71
MTXMETHOTREXATEA,B,C,D2C7V0.71
MTXMETHOTREXATEA1U700.71
MTXMETHOTREXATEA,B,C,D1MXF0.71
MTXMETHOTREXATEA2QK80.71
MTXMETHOTREXATEA,B1RB30.71
MTXMETHOTREXATEA,B1DHJ0.71
MTXMETHOTREXATEA3DAU0.71
MTXMETHOTREXATEA1U720.71
MTXMETHOTREXATEA,B2DRC0.71
MTXMETHOTREXATEA,B1D1G0.71
MTXMETHOTREXATEA,B1DDR0.71
MTXMETHOTREXATEA,B1E7W0.71
MTXMETHOTREXATEA1RX30.71
MTXMETHOTREXATEA3DFR0.71
MTXMETHOTREXATEA,B,C,D1P330.71
MTXMETHOTREXATEA3DAT0.71
MTXMETHOTREXATEA,B1DHI0.71
MTXMETHOTREXATEA,B1TDR0.71
MTXMETHOTREXATEA,B1DRA0.71
MTXMETHOTREXATEA3EIG0.71
MTXMETHOTREXATEA3CD20.71
MTXMETHOTREXATEA1AO80.71
MTXMETHOTREXATEA1DF70.71
MTXMETHOTREXATEA1DLS0.71
MTXMETHOTREXATEA1RG70.71
MTXMETHOTREXATEA1RH30.71
MTXMETHOTREXATEA,B4DFR0.71
MTXMETHOTREXATEA1RA30.71
MTXMETHOTREXATEA,B1DDS0.71
MTXMETHOTREXATEA1DRE0.71
MTXMETHOTREXATEA,B1AXW0.71
MTXMETHOTREXATEA3CL90.71
MTXMETHOTREXATEA,B3DRC0.71
MTXMETHOTREXATEA,B,C,D,E2OIP0.71
5HI(3R,5R)-7-[2-(4-fluorophenyl)-4-
{[(1S)-2-hydroxy-1-phenylethyl]carbamoyl}-
5-(1-methylethyl)-1H-imidazol-1-
yl]-3,5-dihydroxyheptanoic acid		A,B,C,D3CCZ0.7
NE86-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO-
8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE		A1Y5V0.7
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYN0.73
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYK0.73
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A2QYL0.73
CAGA1GNQ0.72
CAGA1PLJ0.72
CAGX2EVW0.72
CAGA1GNR0.72
CAGX2CL60.72
8592-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)BENZAMIDE		A,B2NO30.73
FOLFOLIC ACIDA1PJ60.72
FOLFOLIC ACIDA,B1RD70.72
FOLFOLIC ACIDA,B1DHF0.72
FOLFOLIC ACIDA,B,C,D,E1QZF0.72
FOLFOLIC ACIDA4CD20.72
FOLFOLIC ACIDA1RX70.72
FOLFOLIC ACIDA1RX20.72
FOLFOLIC ACIDA1RX80.72
FOLFOLIC ACIDA1RA20.72
FOLFOLIC ACIDA,B1RE70.72
FOLFOLIC ACIDA7DFR0.72
FOLFOLIC ACIDA1VIF0.72
FOLFOLIC ACIDA,B1RB20.72
FOLFOLIC ACIDA1CD20.72
FOLFOLIC ACIDA2CD20.72
FOLFOLIC ACIDA,B1DYI0.72
FOLFOLIC ACIDA1DRF0.72
FOLFOLIC ACIDA,B,C,D3BMC0.72
FOLFOLIC ACIDA,B2D0K0.72
FOLFOLIC ACIDA1RA80.72
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE		C,O2V110.7
24XH,L2EC90.72
A966-chloro-N-pyrimidin-5-yl-3-{[3-
(trifluoromethyl)phenyl]amino}-
1,2-benzisoxazole-7-carboxamide		A,B3DTW0.71
6072-(2'-AMINO-5-{5-[AMINO(IMINIO)METHYL]-
1H-BENZIMIDAZOL-2-YL}-6-OXIDO-1,1'-
BIPHENYL-3-YL)SUCCINATE		A1O360.71
DOT3'ANTHRANILOYL-2'-DEOXY-ADENOSINE-
5'-TRIPHOSPHATE		A,B,C,D,E,F1LVC0.71
LYA2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-
3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-
ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID		A,B,C,D1JUJ0.71
LYA2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-
3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-
ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID		A,B,C,D1JU60.71
IK81-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-
N-(4-{2-[(DIMETHYLAMINO)METHYL]-
1H-IMIDAZOL-1-YL}-2-FLUOROPHENYL)-
3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-
5-CARBOXAMIDE		A1Z6E0.73
ONAA,C2GVZ0.7
AAItrans-4-(7-carbamoyl-1H-benzimidazol-
2-yl)-1-propylpiperidinium		A2RCW0.71
CL4N-{3-[5-(6-AMINO-PURIN-9-YL)-3,4-
DIHYDROXY-TETRAHYDRO-FURAN-2-YL]-
ALLYL}-2,3-DIHYDROXY-5-NITRO-BENZAMIDE		A1JR40.7
MNT2'(3')-O-N-METHYLANTHRANILOYL-ADENOSINE-
5'-DIPHOSPHATE		A1LVK0.71
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.71
PT1PTEROIC ACIDA,B1TX00.71
PT1PTEROIC ACIDA1BR60.71
PT1PTEROIC ACIDA,B1HWP0.71
4RB4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-
b]pyridazin-3-yl)benzoic acid		A3BQR0.75
LYD2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-
3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-
ETHYL]-BENZOYLAMINO}-3-METHYL-BUTYRIC ACID		A,B1JUT0.7
NFL2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACIDA1TD70.72
4QB3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-HEXANOYLAMINO}-4-
OXO-BUTYRIC ACID		A1RWN0.72
JNJ1-(3-amino-1,2-benzisoxazol-5-yl)-
6-(4-{2-[(dimethylamino)methyl]-
1H-imidazol-1-yl}-2-fluorophenyl)-
7-fluoro-1H-indazole-3-carboxamide		A2RA00.73