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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00586197

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
11F5-[(3S)-3-(2-methoxybiphenyl-4-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine
A3FQV0.72
11F5-[(3S)-3-(2-methoxybiphenyl-4-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine
A3FQZ0.72
DD25-{[1-(2,3-dichlorobenzyl)piperidin-
4-yl]methoxy}quinazoline-2,4-diamine
A3BL90.71
N414-(6-CYCLOHEXYLMETHOXY-9H-PURIN-
2-YLAMINO)--BENZAMIDE
A,B,C,D1OIY0.71
J80(METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE1,41VBB0.77
J80(METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE1,41PO10.77
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
A2JKQ0.71
PFH6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN-
1-YL]QUINAZOLINE
A2OVV0.72
896N-ETHYL-N-ISOPROPYL-3-METHYL-5-
{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE
B,H2UUJ0.74
IBIN-{trans-4-[4-(cyclopropylmethyl)piperazin-
1-yl]cyclohexyl}-4-{[(7R)-7-ethyl-
5-methyl-8-(1-methylethyl)-6-oxo-
5,6,7,8-tetrahydropteridin-2-yl]amino}-
3-methoxybenzamide
A3FC20.71
PNU6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-
5-YL-ETHYLSULFANYL)-PYRIMIDIN-4-
YLAMINE
A1IKX0.7
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.73
G6GN-{3-[(3-{4-[(4-methoxyphenyl)amino]-
1,3,5-triazin-2-yl}pyridin-2-yl)amino]-
4-methylphenyl}-4-[(4-methylpiperazin-
1-yl)methyl]benzamide
A,B3G6G0.73
9795,6-DIPHENYL-N-(2-PIPERAZIN-1-YLETHYL)FURO[2,3-
D]PYRIMIDIN-4-AMINE
A2OF40.72
G984-[2-(4-amino-2,5-dihydro-1,2,5-
oxadiazol-3-yl)-6-{[(1S)-3-amino-
1-phenylpropyl]oxy}-1-ethyl-1H-
imidazo[4,5-c]pyridin-4-yl]-2-methylbut-
3-en-2-ol
A,B,E,I,L,P3E8E0.71
G984-[2-(4-amino-2,5-dihydro-1,2,5-
oxadiazol-3-yl)-6-{[(1S)-3-amino-
1-phenylpropyl]oxy}-1-ethyl-1H-
imidazo[4,5-c]pyridin-4-yl]-2-methylbut-
3-en-2-ol
A,B3E8D0.71
R862-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-
6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN-
2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE
A2ORP0.74
MFQ((2-BROMO-4-METHYLPHENYL){6-[(4-
{[(2S)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)ACETONITRILE
A1H070.71
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine
A3FQ00.73
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine
A,B3E0B0.73
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine
A2KGK0.73
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine
A,B3CSE0.73
N225-[3-(2,5-dimethoxyphenyl)prop-
1-yn-1-yl]-6-ethylpyrimidine-2,4-
diamine
A3FQO0.73
LIA(4-AMINO-2-{[1-(METHYLSULFONYL)PIPERIDIN-
4-YL]AMINO}PYRIMIDIN-5-YL)(2,3-
DIFLUORO-6-METHOXYPHENYL)METHANONE
A2FVD0.71
1SMMETHYL 2-[({[(4,6-DIMETHYLPYRIMIDIN-
2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE
A,B1T9C0.71
1SMMETHYL 2-[({[(4,6-DIMETHYLPYRIMIDIN-
2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE
A1YI00.71
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,B2G1S0.8
877N-(4-AMINO-5-CYANO-6-ETHOXYPYRIDIN-
2-YL)-2-(4-BROMO-2,5-DIMETHOXYPHENYL)ACETAMIDE
A,B2GMX0.71
PFJ6,7-DIMETHOXY-4-[(3R)-3-(QUINOXALIN-
2-YLOXY)PYRROLIDIN-1-YL]QUINAZOLINE
A2OVY0.71
PFP2-[5,6-BIS-(4-METHOXY-PHENYL)-FURO[2,3-
D]PYRIMIDIN-4-YLAMINO]-ETHANOL
A2BR10.75
PRDN6-(2,5-DIMETHOXY-BENZYL)-N6-METHYL-
PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE
A1BOZ0.7
AK53-({3-[(6-amino-5-bromopyrimidin-
4-yl)sulfanyl]propanoyl}amino)-
4-methoxy-N-phenylbenzamide
A3DJ50.73
GNFN~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-
N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-
L-ALANINAMIDE
A,B2F1G0.71
DH12,4-DIAMINO-5-[2-METHOXY-5-(4-CARBOXYBUTYLOXY)BENZYL]PYRIMIDINEA2FZH0.7
447N-(4-{[6-methoxy-7-(3-morpholin-
4-ylpropoxy)quinazolin-4-yl]amino}phenyl)benzamide
A,B2VRX0.78
BI92-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-
4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-
N-METHYLBENZAMIDE
A2JKK0.76
HPMN-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN-
1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN-
4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE
A,B2C6E0.74
4MR5-(4-PHENOXYPHENYL)-5-(4-PYRIMIDIN-
2-YLPIPERAZIN-1-YL)PYRIMIDINE-2,4,6(2H,3H)-
TRIONE
A,B2OVX0.72
65B4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-
4-YL}OXY)-3,5-DIMETHYLBENZONITRILE
A1SV50.7
ST84-{[4-AMINO-6-(CYCLOHEXYLMETHOXY)-
5-NITROSOPYRIMIDIN-2-YL]AMINO}BENZAMIDE
A,B,C,D1OGU0.74
MR94-METHYL-3-({3-[2-(METHYLAMINO)PYRIMIDIN-
4-YL]PYRIDIN-2-YL}OXY)-N-[2-MORPHOLIN-
4-YL-5-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE
A,B2P4I0.77
PFQ2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-
4-YL)AMINO]ETHANOL
A2BRB0.74
DD35-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-
2,4-diamine
A,B3BLA0.7
FCP(2R)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-
2-OL
A1H000.71
MQ15-(4-METHOXYPHENOXY)-2,4-QUINAZOLINEDIAMINEA,B1M790.72
5IG6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-4-(3-METHOXYPROPYL)-2,2-DIMETHYL-
2H-1,4-BENZOXAZIN-3(4H)-ONE
A,B2G1Y0.8
MHR4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-
3-yl)pyrimidin-2-amine
A,B,C,D3BHU0.71
FAP(2S)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-
2-OL
A1H000.71
185(6-[4-(AMINOMETHYL)-2,6-DIMETHYLPHENOXY]-
2-{[4-(AMINOMETHYL)PHENYL]AMINO}-
5-BROMOPYRIMIDIN-4-YL)METHANOL
A1SUQ0.72
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,B2I4Q0.8
DD15-{[1-(2-fluorobenzyl)piperidin-
4-yl]methoxy}quinazoline-2,4-diamine
A3BL70.75
MOTN-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-
5-YL)METHYL]METHYLAMINO]-BENZOYL]-
L-GLUTAMATE
A1HFR0.73
MOTN-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-
5-YL)METHYL]METHYLAMINO]-BENZOYL]-
L-GLUTAMATE
A1DAJ0.73
MOTN-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-
5-YL)METHYL]METHYLAMINO]-BENZOYL]-
L-GLUTAMATE
A1HFQ0.73
MOTN-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-
5-YL)METHYL]METHYLAMINO]-BENZOYL]-
L-GLUTAMATE
A1HFP0.73
3B9N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-
7-yl)-2-methylpropyl]-4-phenoxybenzamide
A3BAC0.81
3B9N-[2-(2,4-diaminopyrido[2,3-d]pyrimidin-
7-yl)-2-methylpropyl]-4-phenoxybenzamide
A3BA90.81
5442-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-
3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-
4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
A,D1K740.71
5442-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-
3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-
4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
A,C,E,G1K7L0.71
319N-({4-[(2-aminopyridin-4-yl)oxy]-
3-fluorophenyl}carbamoyl)-2-(4-
fluorophenyl)acetamide
A3CTH0.72
AZOMETHYL (2Z)-2-(2-{[6-(2-CYANOPHENOXY)PYRIMIDIN-
4-YL]OXY}PHENYL)-3-METHOXYACRYLATE
C,D,E1SQB0.78
AK81-[3-methyl-4-({3-[2-(methylamino)pyrimidin-
4-yl]pyridin-2-yl}oxy)phenyl]-3-
[3-(trifluoromethyl)phenyl]urea
A,B3EFW0.73
DFWN-(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-
4-YL)GLYCINE
A2BRH0.72
G964-[2-(4-amino-2,5-dihydro-1,2,5-
oxadiazol-3-yl)-6-{[(2R)-2-amino-
3-phenylpropyl]oxy}-1-ethyl-1H-
imidazo[4,5-c]pyridin-4-yl]-2-methylbut-
3-en-2-ol
A,B,C,D,E,F3E8C0.72
G964-[2-(4-amino-2,5-dihydro-1,2,5-
oxadiazol-3-yl)-6-{[(2R)-2-amino-
3-phenylpropyl]oxy}-1-ethyl-1H-
imidazo[4,5-c]pyridin-4-yl]-2-methylbut-
3-en-2-ol
A,B3E880.72
MFP((2-BROMO-4-METHYLPHENYL){6-[(4-
{[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)ACETONITRILE
A1H070.71
310N-carbamimidoyl-2-[2-(2-chlorophenyl)-
5-[4-(4-ethanoylphenoxy)phenyl]pyrrol-
1-yl]ethanamide
A2ZDZ0.71
SDZ1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)-
PROPYL]-4-(2-PYRIDYL)-PIPERAZINE
11HRV0.72
PGJ2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-
3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-
4-YL]ISOXAZOL-5(2H)-ONE
A1YW20.73
DRJ(2R)-2-(4-{2-[1,3-BENZOXAZOL-2-
YL(HEPTYL)AMINO]ETHYL}PHENOXY)-
2-METHYLBUTANOIC ACID
A2I4J0.74
PO5(2S)-1-(dimethylamino)-3-(4-{[4-
(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-
3-yl)pyrimidin-2-yl]amino}phenoxy)propan-
2-ol
A3EID0.72
3B82-amino-7-fluoro-5-oxo-5H-chromeno[2,3-
b]pyridine-3-carboxamide
A3BA80.71
DRH(2S)-2-(4-{2-[1,3-BENZOXAZOL-2-
YL(HEPTYL)AMINO]ETHYL}PHENOXY)-
2-METHYLBUTANOIC ACID
A2I4P0.74
DRH(2S)-2-(4-{2-[1,3-BENZOXAZOL-2-
YL(HEPTYL)AMINO]ETHYL}PHENOXY)-
2-METHYLBUTANOIC ACID
A2I4Z0.74
3FP(2R)-1-(DIMETHYLAMINO)-3-{4-[(6-
{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-
4-YL)AMINO]PHENOXY}PROPAN-2-OL
A1V1K0.73
AQZN-(3-{[7-METHOXY-6-(2-PYRROLIDIN-
1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-
4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE
A2BAK0.73
COG2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-
N-METHYLAMINO]QUINAZOLINE
A1LY30.73
53R5-[(3R)-3-(5-methoxybiphenyl-3-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine
X3F0B0.73
53R5-[(3R)-3-(5-methoxybiphenyl-3-
yl)but-1-yn-1-yl]-6-methylpyrimidine-
2,4-diamine
X3F0U0.73
QQ2[(2-CHLORO-5-METHYLPHENYL){6-[(4-
{[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO]ACETONITRILE
A,B,C,D2IW60.7
3284-({4-[(4-methoxypyridin-2-yl)amino]piperidin-
1-yl}carbonyl)benzonitrile
A,B3EAI0.72
DFY(5,6-DIPHENYL-FURO[2,3-D]PYRIMIDIN-
4-YLAMINO)-ACETIC
A2BRG0.76
897N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]-
N-ISOPROPYL-3-METHYL-5-{[(2S)-2-
(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE
B,H2UUK0.73
J77(METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE1,41PO20.77
J77(METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE1,41VBC0.77
Q4AN-(1-benzylpiperidin-4-yl)-6,7-
dimethoxy-2-(4-methyl-1,4-diazepan-
1-yl)quinazolin-4-amine
A,B3FPD0.7
LIFN-{4-[4-AMINO-6-(4-METHOXYPHENYL)FURO[2,3-
D]PYRIMIDIN-5-YL]PHENYL}-N'-[2-
FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA
A1YWN0.71
T95N-(2,6-dimethylphenyl)-4-(2-ethoxyphenoxy)-
2-({4-[4-(2-hydroxyethyl)piperazin-
1-yl]phenyl}amino)pyrimidine-5-
carboxamide
A,B3EQP0.72
R784-{[(7R)-8-cyclopentyl-7-ethyl-
5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-
2-yl]amino}-3-methoxy-N-(1-methylpiperidin-
4-yl)benzamide
A2RKU0.72
3IGN-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-
4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE
A,B2G1R0.77
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)
A,D,U,X1FM60.73
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)
A,B2PRG0.73
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)
A1ZGY0.73
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)
A,B3CS80.73
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)
A,D3DZY0.73
PU49-BUTYL-8-(4-METHOXYBENZYL)-9H-
PURIN-6-AMINE
A1UY70.7
8592-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)BENZAMIDE
A,B2NO30.7
J78(METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE1,41VBE0.77
J78(METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE1,41VBA0.77
J78(METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE1,41VBD0.77
608N-(4-phenoxyphenyl)-2-[(pyridin-
4-ylmethyl)amino]nicotinamide
A,B2P2I0.73
8935-CYANO-N-(2,5-DIMETHOXYBENZYL)-
6-ETHOXYPYRIDINE-2-CARBOXAMIDE
A,B2H960.7