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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00730160

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AK64-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3-
b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide
A3DJ60.71
S031-{4-[4-AMINO-5-(3-METHOXYPHENYL)-
7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL]BENZYL}PIPERIDIN-
4-OL
A,B1YOL0.72
BZCA1EFY0.71
R64(1-METHYL-1H-IMIDAZOL-2-YL)-(3-
METHYL-4-{3-[(PYRIDIN-3-YLMETHYL)-
AMINO]-PROPOXY}-BENZOFURAN-2-YL)-
METHANONE
A,B,C1IYL0.74
TOPTRIMETHOPRIMA1DG50.71
TOPTRIMETHOPRIMA,B,C,D,E,F2W9S0.71
TOPTRIMETHOPRIMA,B,C,D2BFM0.71
TOPTRIMETHOPRIMA2W9G0.71
TOPTRIMETHOPRIMA,B,C,D,E,F,
G,H
3FL90.71
TOPTRIMETHOPRIMA1DYR0.71
TOPTRIMETHOPRIMA2W9H0.71
DH12,4-DIAMINO-5-[2-METHOXY-5-(4-CARBOXYBUTYLOXY)BENZYL]PYRIMIDINEA2FZH0.73
3B9N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-
7-yl)-2-methylpropyl]-4-phenoxybenzamide
A3BAC0.73
3B9N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-
7-yl)-2-methylpropyl]-4-phenoxybenzamide
A3BA90.73
UA4(2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-2-(3,5-DIFLUOROPHENYL)-4-
(3-METHOXYPROPYL)-2-METHYL-2H-1,4-
BENZOXAZIN-3(4H)-ONE
A,B2I4Q0.7
BI92-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-
4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-
N-METHYLBENZAMIDE
A2JKK0.71
5472,3-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-
B]PYRIDIN-4-AMINE
A2OF20.76
MHR4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-
3-yl)pyrimidin-2-amine
A,B,C,D3BHU0.71
9795,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-
D]PYRIMIDIN-4-AMINE
A2OF40.89
LII(Z)-6-(2-[2,5-DIMETHOXYPHENYL]ETHEN-
1-YL)-2,4-DIAMINO-5-METHYLPYRIDO[2,3-
D]PYRIMIDINE
A1KMV0.71
NMDN-NAPHTHALEN-1-YLMETHYL-2'-[3,5-
DIMETHOXYBENZAMIDO]-2'-DEOXY-ADENOSINE
A,B,C,D,E,F1I320.71
53R5-[(3R)-3-(5-methoxybiphenyl-3-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine
X3F0B0.7
53R5-[(3R)-3-(5-methoxybiphenyl-3-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine
X3F0U0.7
LZK6-(2,6-DIMETHOXYPHENYL)PYRIDO[2,3-
D]PYRIMIDINE-2,7-DIAMINE
A,B2V590.73
608N-(4-phenoxyphenyl)-2-[(pyridin-
4-ylmethyl)amino]nicotinamide
A,B2P2I0.72
DFY(5,6-DIPHENYL-FURO[2,3-D]PYRIMIDIN-
4-YLAMINO)-ACETIC
A2BRG0.9
MFR4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-
3-yl)pyrimidin-2-amine
A,B,C,D3BHT0.7
319N-({4-[(2-aminopyridin-4-yl)oxy]-
3-fluorophenyl}carbamoyl)-2-(4-
fluorophenyl)acetamide
A3CTH0.7
LIA(4-AMINO-2-{[1-(METHYLSULFONYL)PIPERIDIN-
4-YL]AMINO}PYRIMIDIN-5-YL)(2,3-
DIFLUORO-6-METHOXYPHENYL)METHANONE
A2FVD0.7
3B82-amino-7-fluoro-5-oxo-5H-chromeno[2,3-
b]pyridine-3-carboxamide
A3BA80.71
1FN1-(4-fluorophenyl)-N-[3-fluoro-
4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-
2-oxo-1,2-dihydropyridine-3-carboxamide
A3CE30.71
LIFN-{4-[4-AMINO-6-(4-METHOXYPHENYL)FURO[2,3-
D]PYRIMIDIN-5-YL]PHENYL}-N'-[2-
FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA
A1YWN0.9
VG84-(1,4'-bipiperidin-1'-yl)-7-({5-
chloro-2-[(2-methoxyphenyl)amino]pyrimidin-
4-yl}amino)-2-methyl-2,3-dihydro-
1H-isoindol-1-one
A2JKQ0.72
PFP2-[5,6-BIS-(4-METHOXY-PHENYL)-FURO[2,3-
D]PYRIMIDIN-4-YLAMINO]-ETHANOL
A2BR10.94
AZOMETHYL (2Z)-2-(2-{[6-(2-CYANOPHENOXY)PYRIMIDIN-
4-YL]OXY}PHENYL)-3-METHOXYACRYLATE
C,D,E1SQB0.73
E896-AMINO-4-[2-(4-METHOXYPHENYL)ETHYL]-
1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-
8-ONE
A,D1Y5X0.73
C4F3-(3-methoxybenzyl)-1H-pyrrolo[2,3-
b]pyridine
A,B3C4F0.72
447N-(4-{[6-methoxy-7-(3-morpholin-
4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide
A,B2VRX0.71
PFQ2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-
4-YL)AMINO]ETHANOL
A2BRB0.9
3202-(4-fluorophenyl)-N-{[3-fluoro-
4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide
A3CTJ0.73
MXA6-(2,5-DIMETHOXY-BENZYL)-5-METHYL-
PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE
A1U710.71
MXA6-(2,5-DIMETHOXY-BENZYL)-5-METHYL-
PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE
A1DLR0.71
GS72-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-
7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide
A3ELJ0.7
4IG(2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-2-(3,5-DIFLUOROPHENYL)-4-
(3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN-
3(4H)-ONE
A,B2G1S0.7
MOTN-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-
5-YL)METHYL]METHYLAMINO]-BENZOYL]-
L-GLUTAMATE
A1HFR0.77
MOTN-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-
5-YL)METHYL]METHYLAMINO]-BENZOYL]-
L-GLUTAMATE
A1DAJ0.77
MOTN-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-
5-YL)METHYL]METHYLAMINO]-BENZOYL]-
L-GLUTAMATE
A1HFQ0.77
MOTN-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-
5-YL)METHYL]METHYLAMINO]-BENZOYL]-
L-GLUTAMATE
A1HFP0.77
8592-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)BENZAMIDE
A,B2NO30.7
DFWN-(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-
4-YL)GLYCINE
A2BRH0.89
P3Y5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-
B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-
3-CARBOXAMIDE
A2Z600.78
P3Y5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-
B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-
3-CARBOXAMIDE
A,B2QOH0.78
DX82-amino-6-(4-methoxyphenyl)-4-oxo-
4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-
5-carbonitrile
A,B,C,D3BMK0.7