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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00229554

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ALH6-PHENYL[5H]PYRROLO[2,3-B]PYRAZINEA,B1UNG0.7
HA3N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-
a]pyrazin-7(8H)-yl)carbonyl]thiophene-
2-carboxamide		A,B2VQV0.7
HA3N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-
a]pyrazin-7(8H)-yl)carbonyl]thiophene-
2-carboxamide		A2VQM0.7
C48N1-(1-DIMETHYLCARBAMOYL-2-PHENYL-
ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL-
ETHYL)-SUCCINAMIDE		A1CVZ0.71
MMG4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-yl)benzoic acid		A3HDM0.7
R862-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-
6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN-
2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE		A2ORP0.75
PPX[PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN-
4-YLAMINO)-ETHYL]-AMINE		E,H1QBV0.71
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		A2W3I0.75
FOLFOLIC ACIDA1PJ60.71
FOLFOLIC ACIDA,B1RD70.71
FOLFOLIC ACIDA,B1DHF0.71
FOLFOLIC ACIDA,B,C,D,E1QZF0.71
FOLFOLIC ACIDA4CD20.71
FOLFOLIC ACIDA1RX70.71
FOLFOLIC ACIDA1RX20.71
FOLFOLIC ACIDA1RX80.71
FOLFOLIC ACIDA1RA20.71
FOLFOLIC ACIDA,B1RE70.71
FOLFOLIC ACIDA7DFR0.71
FOLFOLIC ACIDA1VIF0.71
FOLFOLIC ACIDA,B1RB20.71
FOLFOLIC ACIDA1CD20.71
FOLFOLIC ACIDA2CD20.71
FOLFOLIC ACIDA,B1DYI0.71
FOLFOLIC ACIDA1DRF0.71
FOLFOLIC ACIDA,B,C,D3BMC0.71
FOLFOLIC ACIDA,B2D0K0.71
FOLFOLIC ACIDA1RA80.71
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,B2VQQ0.77
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,B2VQO0.77
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		A2VQJ0.77
HET3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}-
9H-PURIN-9-YL)ETHYL]PHENOL		A2BDJ0.7
S91[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENYL]ACETIC ACID		A2Z8C0.73
S91[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENYL]ACETIC ACID		A2Z7L0.73
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE		A,B2PSJ0.74
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE		A2F8P0.74
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE		A1S360.74
FR41-((1R)-1-(HYDROXYMETHYL)-3-{6-
[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-
1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE		A1UML0.74
CX1N-[(benzyloxy)carbonyl]-L-histidyl-
N-methyl-L-phenylalanyl-L-tyrosine		B3C720.72
FR91-[(1R)-3-(6-{[(BENZYLAMINO)CARBONYL]AMINO}-
1H-INDOL-1-YL)-1-(HYDROXYMETHYL)PROPYL]-
1H-IMIDAZOLE-4-CARBOXAMIDE		A1O5R0.72
IH4N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)		A2BJU0.7
LGF1-[(3AR)-5-{[3-(2,4-DIFLUOROPHENYL)-
5,6-DIHYDROIMIDAZO[1,5-A]PYRAZIN-
7(8H)-YL]CARBONYL}-6-METHOXY-3AH-
PYRROLO[2,3-B]PYRIDIN-3-YL]-2-[(3R)-
3-HYDROXYPYRROLIDIN-1-YL]-2-OXOETHANONE		A2QD90.74
BMI3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-
1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-
2-YLMETHYL)AMINO]PYRIDIN-2(1H)-
ONE		A2OJ90.71
1PU1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-
PYRROLO[2,1-A]ISOINDOL-9-YL)-3-
PYRIDIN-2-YL-UREA		A1GII0.72
1PU1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-
PYRROLO[2,1-A]ISOINDOL-9-YL)-3-
PYRIDIN-2-YL-UREA		A1GIH0.72
AXD2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)-
5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)-
4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID		B2I030.76
NILNilotinibA,B,C,D3CS90.72
NILNilotinibA3GP00.72
IFCN-[2-methyl-5-({[3-(4-methyl-1H-
imidazol-1-yl)-5-(trifluoromethyl)phenyl]carbonyl}amino)phenyl]isoxazole-
5-carboxamide		A3DZQ0.73
1PMmethyl (3S)-3-{2-[(1,3-benzodioxol-
5-ylmethyl)amino]-2-oxoethyl}-4-
[2-(1H-imidazol-1-yl)pyrimidin-
4-yl]piperazine-1-carboxylate		A1DD70.71
SB64-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-
5-(4-PYRIDYL)-IMIDAZOLE		A1BL60.7
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
R69N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE		A1XH40.7
R69N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE		A1XH90.7
RU6A2O450.71
C243-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-
5-CARBONYL}-PYRIDIN-2-YL-AMINO)-
PROPIONIC ACID ETHYL ESTER		B,C1KTS0.7
FR21-((1R)-1-(HYDROXYMETHYL)-3-PHENYLPROPYL)-
1H-IMIDAZOLE-4-CARBOXAMIDE		A1NDW0.74
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
985(2E)-3-{3-[6-(4-methyl-1,4-diazepan-
1-yl)pyrazin-2-yl]phenyl}prop-2-
enoic acid		A3F2A0.72
U66(20S)-19,20,22,23-TETRAHYDRO-19-
OXO-5H,21H-18,20-ETHANO-12,14-ETHENO-
6,10-METHENOBENZ[D]IMIDAZO[4,3-
L][1,6,9,13]OXATRIAZACYCLONOADECOSINE-
9-CARBONITRILE		B1LD70.7
7784-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-
1-YL]METHYL}-1H-IMIDAZOL-1-YL)METHYL]BENZONITRILE		B,C,D,F,G,H,
I,J,K,L		1S640.71
7784-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-
1-YL]METHYL}-1H-IMIDAZOL-1-YL)METHYL]BENZONITRILE		B1S630.71
FR31-((1R)-1-(HYDROXYMETHYL)-3-(1-
NAPHTHYL)PROPYL)-1H-IMIDAZOLE-4-
CARBOXAMIDE		A1NDY0.71
FR61-{(1R,2S)-2-HYDROXY-1-[2-(1-NAPHTHYL)ETHYL]PROPYL}-
1H-IMIDAZOLE-4-CARBOXAMIDE		A2E1W0.71
8592-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)BENZAMIDE		A,B2NO30.73
TELTELITHROMYCIN0,1,2,3,9,A,
B,C,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z		1YIJ0.72
TELTELITHROMYCIN01P9X0.72
FXGN-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamideA3DAJ0.7
24XH,L2EC90.72
P10[1-(3-HYDROXY-2-OXO-1-PHENETHYL-
PROPYLCARBAMOYL)2-PHENYL-ETHYL]-
CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER		A1ME30.7
3MN3-({3-[3-(1H-IMIDAZOL-1-YL)PROPYL]-
5-METHYL-5-(1-NAPHTHYL)-2,4-DIOXOIMIDAZOLIDIN-
1-YL}METHYL)BENZONITRILE		B2F0Y0.71
D3EN-cyclopropyl-N-(trans-4-pyridin-
3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-
1-hydroxy-1-methylethyl]benzamide		A,B,C,D3D3E0.72
GRDbenzyl (S)-1-((2S,3S)-1-(3-(6-amino-
9H-purin-9-yl)propylamino)-2-hydroxy-
1-oxopentan-3-ylamino)-4-methyl-
1-oxopentan-2-ylcarbamate		A2R9C0.71
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID		A1OHJ0.73
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID		A1OHK0.73
MSR4-(1H-IMIDAZOL-1-YL)PHENOLA2ORQ0.72
FR51-((1R)-1-(HYDROXYMETHYL)-3-(6-
((3-(1-METHYL-1H-BENZIMIDAZOL-2-
YL)PROPANOYL)AMINO)-1H-INDOL-1-
YL)PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE		A1NDZ0.71
U49(20S)-19,20,21,22-TETRAHYDRO-19-
OXO-5H-18,20-ETHANO-12,14-ETHENO-
6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-
K][1,6,9,12]OXATRIAZA-CYCLOOCTADECOSINE-
9-CARBONITRILE		A,B1LD80.7
228N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-
1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-
4-YL]-D-PROLINAMIDE		A2ORO0.73
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		A2W170.76
1HP4-(2-amino-1-methyl-1H-imidazo[4,5-
b]pyridin-6-yl)phenol		A,B2QSE0.74
FR81-((1R)-1-(HYDROXYMETHYL)-3-{6-
[(5-PHENYLPENTANOYL)AMINO]-1H-INDOL-
1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE		A1QXL0.74
RC7{(2R)-4-(4-HYDROXYBENZYL)-2-[2-
(1H-IMIDAZOL-4-YL)ETHYL]-5-OXO-
2,5-DIHYDRO-1H-IMIDAZOL-1-YL}ACETALDEHYDE		A,B,C,D2GW40.75
SU9(3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-
5-METHOXY-1H-INDOL-2(3H)-ONE		A1PF80.7
IEY2-((1E)-2-(5-IMIDAZOLYL)ETHENYL)-
4-(P-HYDROXYBENZYLIDENE)-5-IMIDAZOLINONE		A,B,C,D2BTJ0.72
IEY2-((1E)-2-(5-IMIDAZOLYL)ETHENYL)-
4-(P-HYDROXYBENZYLIDENE)-5-IMIDAZOLINONE		A,B,C,D2VVJ0.72
PB3N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE-
4,6-DICARBOXAMIDE		A,B1XUC0.7
INP4-[[N-[(PHENYLMETHOXY)CARBONYL]-
/NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4-
(PYRIDINYLMETHOXY)CARBONYL]AMINO]-
4-METHYLPENT/NYL]-3-PYRROLIDINONE/N		A1AU40.74
4RB4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-
b]pyridazin-3-yl)benzoic acid		A3BQR0.73
7CS(3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL 1H-PYRROLO[2,3-B]PYRIDINE-
3-CARBOXYLATE		A2QHM0.7