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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00501541

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.81
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.7
FRTN-(2-METHOXYETHYL)-4-({4-[2-METHYL-
1-(1-METHYLETHYL)-1H-IMIDAZOL-5-
YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE
A2W050.71
SB24-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-
PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE
A2EWA0.72
SB24-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-
PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE
A1A9U0.72
SB24-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-
PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE
A1PME0.72
8552-(6-methylpyridin-2-yl)-N-pyridin-
4-ylquinazolin-4-amine
A3HMM0.71
HDT4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-
2-YL)AMINO]BENZENESULFONAMIDE
A1OIT0.76
D2A2-(4'-AMIDINOBIPHENYL-4-YL)-1H-
BENZIMIDAZOLE-5-AMIDINE
A2B0K0.71
JNFN-cyclohexyl-4-imidazo[1,2-a]pyridin-
3-yl-N-methylpyrimidin-2-amine
A3CGF0.75
MPIIMIDAZO[1,2-A]PYRIDINEA1AEM0.88
24A{[(4-{[2-(4-AMINOCYCLOHEXYL)-9-
ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID
A,B2BDF0.71
1DA1-DEAZA-ADENOSINEA1ADD0.71
SB44-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-
5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE
A1BL70.7
SB44-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-
5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE
A3ERK0.7
NHV(5R,6R,7S,8R)-6,7,8-trihydroxy-
5-(hydroxymethyl)-2-[(phenylamino)methyl]-
5,6,7,8-tetrahydro-1H-imidazo[1,2-
a]pyridin-4-ium
A,B2VOT0.71
AD5N~6~-cyclohexyl-N~2~-(4-morpholin-
4-ylphenyl)-9H-purine-2,6-diamine
A,B2VGO0.75
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE
H,I1C1U0.72
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE
A1C1R0.72
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE
A1C1P0.72
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE
A1C1Q0.72
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE
A1O340.72
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE
A1O310.72
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE
A1O330.72
8012-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}PYRIDIN-3-OLATE
A1O320.72
EMUN-BENZYL-9H-PURIN-6-AMINEA1W1S0.78
SC96-(2-fluorophenyl)-N-(pyridin-3-
ylmethyl)imidazo[1,2-a]pyrazin-
8-amine
A2R3G0.73
KS11-cyclopentyl-3-(1H-pyrrolo[2,3-
b]pyridin-5-yl)-1H-pyrazolo[3,4-
d]pyrimidin-4-amine
A,B3EN40.7
OWLN-1H-imidazol-2-yl-N'-[4-(1H-imidazol-
2-ylamino)phenyl]benzene-1,4-diamine
A,G3FSI0.75
TMG2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLEA1YVM0.79
CK24-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-
2-AMINE
A,C2C5O0.71
CK24-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-
2-AMINE
A1PXJ0.71
VGD6-chloro-1H-benzimidazol-2-amineA,B,C,D2WD70.75
BMI3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-
1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-
2-YLMETHYL)AMINO]PYRIDIN-2(1H)-
ONE
A2OJ90.71
GVJ(S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINEA2UVZ0.75
1212-(3-HYDROXY-PYRIDIN-2-YL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
H,I,L1GHY0.7
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.73
2AP2-AMINOPYRIDINEA1AEO0.77
3AP3-AMINOPYRIDINEA1AEF0.74
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
B1GI70.71
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
H,I1GHV0.71
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
A1GHZ0.71
RC8(2R)-2-({9-(1-methylethyl)-6-[(4-
pyridin-2-ylbenzyl)amino]-9H-purin-
2-yl}amino)butan-1-ol
A,C3DDP0.71
STS2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-
1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM
A1Y8J0.82
N31N-[3-(1H-benzimidazol-1-yl)propanoyl]glycyl-
L-alanyl-L-alaninamide
A3EXB0.71
QQQ1-(1-methylethyl)-1H-benzimidazole-
2-sulfonic acid
A,B,C,D3GNC0.73
HDUN-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-
3-YL)-2-PYRIMIDINYL]ACETAMIDE
A1OIQ0.77
GVIN-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINEA2UVY0.77
R114-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-
1-YLMETHYL)-1H-BENZOIMIDAZOL-2-
YLMETHYL]-AMINO}-BENZAMIDINE
A1G2M0.7
R114-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-
1-YLMETHYL)-1H-BENZOIMIDAZOL-2-
YLMETHYL]-AMINO}-BENZAMIDINE
B,C1G320.7
R114-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-
1-YLMETHYL)-1H-BENZOIMIDAZOL-2-
YLMETHYL]-AMINO}-BENZAMIDINE
A1G360.7
HT25-AMIDINO-2-[2-(4-AMIDINOPHENYL)-
5-BENZIMIDAZOLYL]BENZIMIDAZOLE
B311D0.7
IP6N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-
2,3-DIAMINE
A2OHT0.72
D134-[5-(3-IODO-PHENYL)-2-(4-METHANESULFINYL-
PHENYL)-1H-IMIDAZOL-4-YL]-PYRIDINE
A1IAN0.72
M1B2-{3'-[AMINO(IMINO)METHYL]BIPHENYL-
4-YL}-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE
A2I5A0.7
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9B0.72
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9C0.72
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1XUG0.72
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9A0.72
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1C1T0.72
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9D0.72
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEH,I1C1V0.72
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1C1S0.72
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1XUK0.72
TRM1H-BENOXIMIDAZOLE-2-CARBOXYLIC ACIDA1FQ40.73
5MB5-METHYLBENZIMIDAZOLEA1JHM0.78
DA1PYRIDINE-2,5-DIAMINEA2AQD0.79
CKE1-{7-cyclohexyl-6-[4-(4-methylpiperazin-
1-yl)benzyl]-7H-pyrrolo[2,3-d]pyrimidin-
2-yl}methanamine
A2R6N0.7
FRV4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-
IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-
N-METHYLBENZENESULFONAMIDE
A2W060.72
I172-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]-
6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE
A1G5S0.72
2755-amino-1,2-dimethylpyridiniumX2RBW0.71
L0D2-(1H-pyrazol-3-yl)-1H-benzimidazoleA2W1D0.76
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
3FBV0.74
BZIBENZIMIDAZOLEA1RYC0.84
BZIBENZIMIDAZOLEA1L5F0.84
BZIBENZIMIDAZOLEA1KXM0.84
JNO2-{4-[(4-imidazo[1,2-a]pyridin-
3-ylpyrimidin-2-yl)amino]piperidin-
1-yl}-N-methylacetamide
A3CGO0.73
CQUN-[2-(5-methyl-4H-1,2,4-triazol-
3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-
4-amine
A3CQU0.72
BBZ2'-(4-DIMETHYLAMINOPHENYL)-5-(4-
METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
B447D0.71
BBZ2'-(4-DIMETHYLAMINOPHENYL)-5-(4-
METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
B1QV80.71
KSLN-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine
A2ZYB0.72
I1P2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]-
A1URW0.72
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHP0.73
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE
A2IZT0.74
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE
A2CDZ0.74
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE
A,B2F570.74
9DA9-DEAZAADENINEA1L1R0.88
9DA9-DEAZAADENINEA1L1Q0.88
P294-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-
2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-
8-CARBONITRILE
A2PVM0.74
SCE3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-
a]pyrazin-8-amine
A2R3H0.8
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.7
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.7
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.7
55FN-[4-(5-fluoro-6-methylpyridin-
2-yl)-5-quinoxalin-6-yl-1H-imidazol-
2-yl]acetamide
A,B,C,D,E3FAA0.71
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.71
LID8-(2-CHLOROPHENYLAMINO)-2-(2,6-
DIFLUOROPHENYLAMINO)-9-ETHYL-9H-
PURINE-1,7-DIIUM
A2GTM0.75
CK8N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-
PYRIMIDIN-2-YL]-N',N'-DIMETHYL-
BENZENE-1,4-DIAMINE
A,C2C5N0.71
CK8N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-
PYRIMIDIN-2-YL]-N',N'-DIMETHYL-
BENZENE-1,4-DIAMINE
A1PXP0.71
L224-(2-amino-1,3-thiazol-4-yl)pyrimidin-
2-amine
A,B2W700.72
CPZ4-(4-CHLOROPHENYL)IMIDAZOLEA1SUO0.73
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A,B2QXM0.8
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A1HZ00.8
ABI5-AMIDINO-BENZIMIDAZOLEA1C2K0.78
SB64-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-
5-(4-PYRIDYL)-IMIDAZOLE
A1BL60.71
RBUA,B1BEX0.71
C4EN-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-amine
A,B,C,D3C4E0.81
PIM4-PHENYL-1H-IMIDAZOLEA,B2D0T0.78
PIM4-PHENYL-1H-IMIDAZOLEA1E9X0.78
PIM4-PHENYL-1H-IMIDAZOLEA1PHD0.78
PIM4-PHENYL-1H-IMIDAZOLEA,B,C,D2RFC0.78
PIM4-PHENYL-1H-IMIDAZOLEA1ODO0.78
PIM4-PHENYL-1H-IMIDAZOLEA3E5K0.78
PIM4-PHENYL-1H-IMIDAZOLEA1PHE0.78
PIM4-PHENYL-1H-IMIDAZOLEA,B1F4T0.78
PIM4-PHENYL-1H-IMIDAZOLEA1S1F0.78
PIM4-PHENYL-1H-IMIDAZOLEA1PHF0.78
DB92-{4'-[AMINO(IMINO)METHYL]BIPHENYL-
3-YL}-1H-BENZIMIDAZOLE-6-CARBOXIMIDAMIDE
A,B2NLM0.7
AEE6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-
N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-
D]PYRIMIDIN-4-AMINE
A2J6M0.72
AEE6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-
N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-
D]PYRIMIDIN-4-AMINE
A2JIU0.72
AEE6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-
N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-
D]PYRIMIDIN-4-AMINE
A2ITT0.72
AEE6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-
N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-
D]PYRIMIDIN-4-AMINE
A2ITP0.72
DMD5,6-DIMETHYLBENZIMIDAZOLEA1D0S0.75
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE
A2Z2G0.73
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE
A2Z2H0.73
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE
A2HKC0.73