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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01182776

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
L234-[1-(2,6-dichlorobenzyl)-2-methyl-
1H-imidazol-4-yl]pyrimidin-2-amine
A,C2W710.73
MIM[CYCLOHEXYLETHYL]-[[[[4-[2-METHYL-
1-IMIDAZOLYL-BUTYL]PHENYL]ACETYL]-
SERYL]-LYSINYL]-AMINE
A2NMT0.73
MIM[CYCLOHEXYLETHYL]-[[[[4-[2-METHYL-
1-IMIDAZOLYL-BUTYL]PHENYL]ACETYL]-
SERYL]-LYSINYL]-AMINE
A,B1IYK0.73
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
A2R6N0.71
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A,B2QXM0.77
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A1HZ00.77
SCW3-bromo-6-phenyl-N-(pyrimidin-5-
ylmethyl)imidazo[1,2-a]pyridin-
8-amine
A2R3L0.78
IYZ1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-
B]PYRIDAZIN-3-YL}PHENYL)ETHANONE
B2C3I0.71
HM25-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-
2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE
A2G6P0.72
K514-(6-{[(1S)-1-(HYDROXYMETHYL)-2-
METHYLPROPYL]AMINO}IMIDAZO[1,2-
B]PYRIDAZIN-3-YL)BENZONITRILE
X2PMN0.7
PIM4-PHENYL-1H-IMIDAZOLEA,B2D0T0.8
PIM4-PHENYL-1H-IMIDAZOLEA1E9X0.8
PIM4-PHENYL-1H-IMIDAZOLEA1PHD0.8
PIM4-PHENYL-1H-IMIDAZOLEA,B,C,D2RFC0.8
PIM4-PHENYL-1H-IMIDAZOLEA1ODO0.8
PIM4-PHENYL-1H-IMIDAZOLEA3E5K0.8
PIM4-PHENYL-1H-IMIDAZOLEA1PHE0.8
PIM4-PHENYL-1H-IMIDAZOLEA,B1F4T0.8
PIM4-PHENYL-1H-IMIDAZOLEA1S1F0.8
PIM4-PHENYL-1H-IMIDAZOLEA1PHF0.8
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE
A2Z2G0.71
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE
A2Z2H0.71
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE
A2HKC0.71
RRCR-ROSCOVITINEA,B,C,D3DDQ0.71
RRCR-ROSCOVITINEA1YGK0.71
RRCR-ROSCOVITINEA1UNL0.71
RRCR-ROSCOVITINEA2A4L0.71
C4EN-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-amine
A,B,C,D3C4E0.73
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
OWLN-1H-imidazol-2-yl-N'-[4-(1H-imidazol-
2-ylamino)phenyl]benzene-1,4-diamine
A,G3FSI0.75
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.73
1BN1-BENZYL-1H-IMIDAZOLEA,B2AFX0.88
RC8(2R)-2-({9-(1-methylethyl)-6-[(4-
pyridin-2-ylbenzyl)amino]-9H-purin-
2-yl}amino)butan-1-ol
A,C3DDP0.71
6544-(2-THIENYL)-1-(4-METHYLBENZYL)-
1H-IMIDAZOLE
A,B1I2Z0.7
880CYCLOHEXYL-{4-[5-(3,4-DICHLOROPHENYL)-
2-PIPERIDIN-4-YL-3-PROPYL-3H-IMIDAZOL-
4-YL]-PYRIMIDIN-2-YL}AMINE
A1PMQ0.73
SC96-(2-fluorophenyl)-N-(pyridin-3-
ylmethyl)imidazo[1,2-a]pyrazin-
8-amine
A2R3G0.78
TMI1-[PHENYL-(4-PHENYLPHENYL)-METHYL]IMIDAZOLEA2BDM0.85
FTL4-[(3-CYANO-BENZYL)-(3-METHYL-3H-
IMIDAZOL-4-YLMETHYL)-AMINO]-2-NAPHTHALEN-
1-YL-BENZONITRILE
B1NL40.73
SB54-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL-
5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE
A1BMK0.79
MPIIMIDAZO[1,2-A]PYRIDINEA1AEM0.72
KSLN-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine
A2ZYB0.78
OLOOLOMOUCINEA4ERK0.71
OLOOLOMOUCINEC1W0X0.71
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.73
IZZ(2S)-2-{[3-(3-aminophenyl)imidazo[1,2-
b]pyridazin-6-yl]amino}-3-methylbutan-
1-ol
A3F2N0.72
KSFN-(2-chlorophenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine
A2ZM10.73
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.7
FRV4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-
IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-
N-METHYLBENZENESULFONAMIDE
A2W060.72
FTH1-[2-(4-CYANO-BENZYLAMINO)-3-(3-
METHYL-3H-IMIDAZOL-4-YL)-PROPIONYL]-
5-NAPHTHALEN-1-YL-1,2,3,6-TETRAHYDRO-
PYRIDINE-4-CARBONITRILE
B1N950.7
SCE3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-
a]pyrazin-8-amine
A2R3H0.76
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.72
0844-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-
4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-
1H-IMIDAZOL-2-YL]-PIPERIDINE
A1OUK0.77
EMUN-BENZYL-9H-PURIN-6-AMINEA1W1S0.71
RMC(2R)-2-({6-[BENZYL(METHYL)AMINO]-
9-ISOPROPYL-9H-PURIN-2-YL}AMINO)BUTAN-
1-OL
A1YGJ0.71
984CYCLOPROPYL-{4-[5-(3,4-DICHLOROPHENYL)-
2-[(1-METHYL)-PIPERIDIN]-4-YL-3-
PROPYL-3H-IMIDAZOL-4-YL]-PYRIMIDIN-
2-YL}AMINE
A1PMN0.75
PB21-(biphenyl-4-ylmethyl)-1H-imidazoleA,B,C,D3G930.87
PB21-(biphenyl-4-ylmethyl)-1H-imidazoleA,B,C,D3G5N0.87
SB64-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-
5-(4-PYRIDYL)-IMIDAZOLE
A1BL60.79
STS2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-
1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM
A1Y8J0.73
DMD5,6-DIMETHYLBENZIMIDAZOLEA1D0S0.74
T87[(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-1-METHYL-1H-BENZOIMIDAZOL-
5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL-
METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER
B,C1G300.7
T87[(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-1-METHYL-1H-BENZOIMIDAZOL-
5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL-
METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER
A1G2L0.7
T87[(1-{2[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-1-METHYL-1H-BENZOIMIDAZOL-
5-YL}-CYCLOPROPYL)-PYRIDIN-2-YL-
METHYLENEAMINOOXY]-ACETIC ACID ETHYL ESTER
A1OYQ0.7
CPZ4-(4-CHLOROPHENYL)IMIDAZOLEA1SUO0.74
5MB5-METHYLBENZIMIDAZOLEA1JHM0.73
HBNN-(2-NAPHTHYL)HISTIDINAMIDEB1VEA0.72
PFZ1-(N-IMIDAZOLYL)-2-HYDROXY-2-(2,3-
DICHLOROPHENYL)OCTANE
A1PHA0.7
PFZ1-(N-IMIDAZOLYL)-2-HYDROXY-2-(2,3-
DICHLOROPHENYL)OCTANE
A1PHB0.7
1CI1-(4-CHLOROPHENYL)-1H-IMIDAZOLEA,B,C,D,E,F,G2Q6N0.72
ABI5-AMIDINO-BENZIMIDAZOLEA1C2K0.72
1SQISOQUINOLIN-1-AMINEA2OHK0.7
I172-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]-
6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE
A1G5S0.73