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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03216912

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE
H,I1C1U0.7
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE
A1C1R0.7
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE
A1C1P0.7
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE
A1C1Q0.7
KSMN-(2-chloro-6-methylphenyl)-8-[(3S)-
3-methylpiperazin-1-yl]imidazo[1,5-
a]quinoxalin-4-amine
A2ZM40.77
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
WAI4-{2-[4-(2-AMINOETHYL)PIPERAZIN-
1-YL]PYRIDIN-4-YL}-N-(3-CHLORO-
4-METHYLPHENYL)PYRIMIDIN-2-AMINE
A1Y2F0.7
55FN-[4-(5-fluoro-6-methylpyridin-
2-yl)-5-quinoxalin-6-yl-1H-imidazol-
2-yl]acetamide
A,B,C,D,E3FAA0.75
RMC(2R)-2-({6-[BENZYL(METHYL)AMINO]-
9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN-
1-OL
A1YGJ0.72
SB44-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-
5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE
A1BL70.77
SB44-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-
5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE
A3ERK0.77
CKE1-{7-cyclohexyl-6-[4-(4-methylpiperazin-
1-yl)benzyl]-7H-pyrrolo[2,3-d]pyrimidin-
2-yl}methanamine
A2R6N0.76
LZL7-(2,5-dihydropyrrol-1-yl)-6-phenyl-
pyrido[6,5-d]pyrimidin-2-amine
A,B2V5A0.7
JNFN-cyclohexyl-4-imidazo[1,2-a]pyridin-
3-yl-N-methylpyrimidin-2-amine
A3CGF0.85
LI8N-(3-{[5-BROMO-2-({3-[(PYRROLIDIN-
1-YLCARBONYL)AMINO]PHENYL}AMINO)PYRIMIDIN-
4-YL]AMINO}PROPYL)-2,2-DIMETHYLMALONAMIDE
A1Z5M0.73
DA1PYRIDINE-2,5-DIAMINEA2AQD0.72
CK8N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-
PYRIMIDIN-2-YL]-N',N'-DIMETHYL-
BENZENE-1,4-DIAMINE
A,C2C5N0.75
CK8N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-
PYRIMIDIN-2-YL]-N',N'-DIMETHYL-
BENZENE-1,4-DIAMINE
A1PXP0.75
8552-(6-methylpyridin-2-yl)-N-pyridin-
4-ylquinazolin-4-amine
A3HMM0.76
1HP4-(2-amino-1-methyl-1H-imidazo[4,5-
b]pyridin-6-yl)phenol
A,B2QSE0.71
STS2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-
1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM
A1Y8J0.76
FRV4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-
IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-
N-METHYLBENZENESULFONAMIDE
A2W060.76
KSLN-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine
A2ZYB0.79
AD5N~6~-cyclohexyl-N~2~-(4-morpholin-
4-ylphenyl)-9H-purine-2,6-diamine
A,B2VGO0.73
1DA1-DEAZA-ADENOSINEA1ADD0.71
2755-amino-1,2-dimethylpyridiniumX2RBW0.72
SCW3-bromo-6-phenyl-N-(pyrimidin-5-
ylmethyl)imidazo[1,2-a]pyridin-
8-amine
A2R3L0.77
LID8-(2-CHLOROPHENYLAMINO)-2-(2,6-
DIFLUOROPHENYLAMINO)-9-ETHYL-9H-
PURINE-1,7-DIIUM
A2GTM0.79
QQQ1-(1-methylethyl)-1H-benzimidazole-
2-sulfonic acid
A,B,C,D3GNC0.78
880CYCLOHEXYL-{4-[5-(3,4-DICHLOROPHENYL)-
2-PIPERIDIN-4-YL-3-PROPYL-3H-IMIDAZOL-
4-YL]-PYRIMIDIN-2-YL}AMINE
A1PMQ0.7
R114-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-
1-YLMETHYL)-1H-BENZOIMIDAZOL-2-
YLMETHYL]-AMINO}-BENZAMIDINE
A1G2M0.73
R114-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-
1-YLMETHYL)-1H-BENZOIMIDAZOL-2-
YLMETHYL]-AMINO}-BENZAMIDINE
B,C1G320.73
R114-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-
1-YLMETHYL)-1H-BENZOIMIDAZOL-2-
YLMETHYL]-AMINO}-BENZAMIDINE
A1G360.73
D943-[cis-3-(4-methylpiperazin-1-yl)cyclobutyl]-
1-(2-phenylquinolin-7-yl)imidazo[1,5-
a]pyrazin-8-amine
A3D940.74
QIGN-1H-indazol-5-yl-2-(6-methylpyridin-
2-yl)quinazolin-4-amine
A3GXL0.72
YE7IMIDAZO[2,1-A]ISOQUINOLINE-2-CARBOHYDRAZIDEA2P980.72
IDE(5R,6R,7S,8S)-3-(ANILINOMETHYL)-
5,6,7,8-TETRAHYDRO-5-(HYDROXYMETHYL)-
IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL
A1X390.7
IDE(5R,6R,7S,8S)-3-(ANILINOMETHYL)-
5,6,7,8-TETRAHYDRO-5-(HYDROXYMETHYL)-
IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL
A,B2J7C0.7
TAQ2,4,6-TRIAMINOQUINAZOLINEA,B,C,D,E,F,
G,H
1W0C0.71
1BN1-BENZYL-1H-IMIDAZOLEA,B2AFX0.71
CP93-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN-
1-YL)BENZYL]-3H-BENZOTHIAZOL-2-
ONE
A1TV60.75
GW37-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-
F]QUINAZOLINE-1,3-DIAMINE
A,B1AOE0.8
L234-[1-(2,6-dichlorobenzyl)-2-methyl-
1H-imidazol-4-yl]pyrimidin-2-amine
A,C2W710.78
BBZ2'-(4-DIMETHYLAMINOPHENYL)-5-(4-
METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
B447D0.74
BBZ2'-(4-DIMETHYLAMINOPHENYL)-5-(4-
METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
B1QV80.74
L0D2-(1H-pyrazol-3-yl)-1H-benzimidazoleA2W1D0.75
GVJ(S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINEA2UVZ0.73
SC96-(2-fluorophenyl)-N-(pyridin-3-
ylmethyl)imidazo[1,2-a]pyrazin-
8-amine
A2R3G0.77
C4EN-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-amine
A,B,C,D3C4E0.77
NILNilotinibA,B,C,D3CS90.7
NILNilotinibA3GP00.7
AYM3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-
N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE
A,B1LXC0.7
RBSN-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-
ACRYLAMIDE
A,B2HWO0.7
OLOOLOMOUCINEA4ERK0.73
OLOOLOMOUCINEC1W0X0.73
OWLN-1H-imidazol-2-yl-N'-[4-(1H-imidazol-
2-ylamino)phenyl]benzene-1,4-diamine
A,G3FSI0.73
RW14-phenylpyrimidineA,B,C3B9S0.77
PHN1,10-PHENANTHROLINEA1LIH0.7
PHN1,10-PHENANTHROLINEA2LIG0.7
PHN1,10-PHENANTHROLINEA,B2FU70.7
DX26-phenylpteridine-2,4,7-triamineA,B,C,D3BME0.71
6544-(2-THIENYL)-1-(4-METHYLBENZYL)-
1H-IMIDAZOLE
A,B1I2Z0.7
SB64-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-
5-(4-PYRIDYL)-IMIDAZOLE
A1BL60.78
T501-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUOROPHENYL)-
4-METHYL-1H-BENZIMIDAZOLE
A2B6A0.74
C024-(5-BENZENESULFONYLAMINO-1-METHYL-
1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE
B,C1KTT0.71
EMUN-BENZYL-9H-PURIN-6-AMINEA1W1S0.75
JNO2-{4-[(4-imidazo[1,2-a]pyridin-
3-ylpyrimidin-2-yl)amino]piperidin-
1-yl}-N-methylacetamide
A3CGO0.76
MBB2'-(3-METHYL-4-DIMETHYLAMINOPHENYL)-
5-(4-METHYL-1-PIPERAZINYL)-2,5'-
BI-BENZIMIDAZOLE
B1QV40.73
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE
A2Z2G0.9
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE
A2Z2H0.9
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE
A2HKC0.9
IM92-{4-[4-({4-[2-methyl-1-(1-methylethyl)-
1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-
1-yl}-2-oxoethanol
A2VV90.75
SB54-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL-
5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE
A1BMK0.79
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.71
RRCR-ROSCOVITINEA,B,C,D3DDQ0.72
RRCR-ROSCOVITINEA1YGK0.72
RRCR-ROSCOVITINEA1UNL0.72
RRCR-ROSCOVITINEA2A4L0.72
P012-({6-[(3-CHLOROPHENYL)AMINO]-9-
ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL
A2IZU0.72
P012-({6-[(3-CHLOROPHENYL)AMINO]-9-
ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL
A,B1YOM0.72
P012-({6-[(3-CHLOROPHENYL)AMINO]-9-
ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL
A2Z7S0.72
LIE2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-
9-ISOPROPYL-9H-PURIN-8-AMINE
A2GTN0.71
SCE3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-
a]pyrazin-8-amine
A2R3H0.81
BMI3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-
1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-
2-YLMETHYL)AMINO]PYRIDIN-2(1H)-
ONE
A2OJ90.75
KSFN-(2-chlorophenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine
A2ZM10.75
984CYCLOPROPYL-{4-[5-(3,4-DICHLOROPHENYL)-
2-[(1-METHYL)-PIPERIDIN]-4-YL-3-
PROPYL-3H-IMIDAZOL-4-YL]-PYRIMIDIN-
2-YL}AMINE
A1PMN0.7
APJN~2~-1H-benzimidazol-5-yl-N~4~-
(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-
2,4-diamine
A,B,C,D,E,F,
G,H,I,J,K,L,
M,N
3FBV0.75
HDT4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-
2-YL)AMINO]BENZENESULFONAMIDE
A1OIT0.78
7AC7-(aminomethyl)-6-(2-chlorophenyl)-
1-methyl-1H-benzimidazole-5-carbonitrile
A,B,C,D3CCC0.71
C193-(2-aminoquinazolin-6-yl)-1-(3,3-
dimethylindolin-6-yl)-4-methylpyridin-
2(1H)-one
A,B3CP90.7
RC8(2R)-2-({9-(1-methylethyl)-6-[(4-
pyridin-2-ylbenzyl)amino]-9H-purin-
2-yl}amino)butan-1-ol
A,C3DDP0.75
L1B7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM
A,B2G210.73
PMD[N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-
DIBENZ[B,F]AZEPINE
A1KLK0.76
CQUN-[2-(5-methyl-4H-1,2,4-triazol-
3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-
4-amine
A3CQU0.7
HM25-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-
2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE
A2G6P0.71
5BPN-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-
3-ylpyrimidin-2-amine
A,C3EJ10.7
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.71
FTL4-[(3-CYANO-BENZYL)-(3-METHYL-3H-
IMIDAZOL-4-YLMETHYL)-AMINO]-2-NAPHTHALEN-
1-YL-BENZONITRILE
B1NL40.71
PIM4-PHENYL-1H-IMIDAZOLEA,B2D0T0.73
PIM4-PHENYL-1H-IMIDAZOLEA1E9X0.73
PIM4-PHENYL-1H-IMIDAZOLEA1PHD0.73
PIM4-PHENYL-1H-IMIDAZOLEA,B,C,D2RFC0.73
PIM4-PHENYL-1H-IMIDAZOLEA1ODO0.73
PIM4-PHENYL-1H-IMIDAZOLEA3E5K0.73
PIM4-PHENYL-1H-IMIDAZOLEA1PHE0.73
PIM4-PHENYL-1H-IMIDAZOLEA,B1F4T0.73
PIM4-PHENYL-1H-IMIDAZOLEA1S1F0.73
PIM4-PHENYL-1H-IMIDAZOLEA1PHF0.73
1CI1-(4-CHLOROPHENYL)-1H-IMIDAZOLEA,B,C,D,E,F,G2Q6N0.75
9DA9-DEAZAADENINEA1L1R0.82
9DA9-DEAZAADENINEA1L1Q0.82
IZZ(2S)-2-{[3-(3-aminophenyl)imidazo[1,2-
b]pyridazin-6-yl]amino}-3-methylbutan-
1-ol
A3F2N0.7
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
2H5L0.72
ABI5-AMIDINO-BENZIMIDAZOLEA1C2K0.75
LIH6-([5-QUINOLYLAMINO]METHYL)-2,4-
DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE
A1KMS0.74
FPH3-(4-FLUOROPHENYL)-2-PYRIDIN-4-
YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL
A1OZ10.7
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE
A2IZT0.78
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE
A2CDZ0.78
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE
A,B2F570.78
AD33-DEAZA-ADENOSINEA,B1KIE0.72
AD33-DEAZA-ADENOSINEA,B,C,D2ZIZ0.72
AD33-DEAZA-ADENOSINEA,B1R4F0.72
AD33-DEAZA-ADENOSINEA,B1HP00.72
AEE6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-
N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-
D]PYRIMIDIN-4-AMINE
A2J6M0.7
AEE6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-
N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-
D]PYRIMIDIN-4-AMINE
A2JIU0.7
AEE6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-
N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-
D]PYRIMIDIN-4-AMINE
A2ITT0.7
AEE6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-
N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-
D]PYRIMIDIN-4-AMINE
A2ITP0.7
5MB5-METHYLBENZIMIDAZOLEA1JHM0.75
HDUN-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-
3-YL)-2-PYRIMIDINYL]ACETAMIDE
A1OIQ0.81
KS51-(1-methylethyl)-3-quinolin-6-
yl-1H-pyrazolo[3,4-d]pyrimidin-
4-amine
B3EN60.73
N31N-[3-(1H-benzimidazol-1-yl)propanoyl]glycyl-
L-alanyl-L-alaninamide
A3EXB0.77
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A,B2QXM0.83
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A1HZ00.83
GVIN-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINEA2UVY0.76
BZIBENZIMIDAZOLEA1RYC0.77
BZIBENZIMIDAZOLEA1L5F0.77
BZIBENZIMIDAZOLEA1KXM0.77
CK7[4-(2-AMINO-4-METHYL-THIAZOL-5-
YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-
AMINE
A1PXO0.7
CK7[4-(2-AMINO-4-METHYL-THIAZOL-5-
YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-
AMINE
A,C2C5P0.7
I172-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]-
6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE
A1G5S0.75
DMD5,6-DIMETHYLBENZIMIDAZOLEA1D0S0.73
24A{[(4-{[2-(4-AMINOCYCLOHEXYL)-9-
ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID
A,B2BDF0.75
P294-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-
2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-
8-CARBONITRILE
A2PVM0.73
AP9(2S)-2-({6-[(3-AMINO-5-CHLOROPHENYL)AMINO]-
9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL
B2F2C0.72
CK24-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-
2-AMINE
A,C2C5O0.72
CK24-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-
2-AMINE
A1PXJ0.72
FRTN-(2-METHOXYETHYL)-4-({4-[2-METHYL-
1-(1-METHYLETHYL)-1H-IMIDAZOL-5-
YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE
A2W050.74
0844-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-
4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-
1H-IMIDAZOL-2-YL]-PIPERIDINE
A1OUK0.74
MPIIMIDAZO[1,2-A]PYRIDINEA1AEM0.75
MOJ(5E,7S)-2-amino-7-(4-fluoro-2-pyridin-
3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-
5(6H)-one oxime
A3FT80.72
I1P2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]-
A1URW0.74
MQU7-[2-METHOXY-1-(METHOXYMETHYL)ETHYL]-
7H-PYRROLO[3,2-F] QUINAZOLINE-1,3-
DIAMINE
A,B1M7A0.75