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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01735514

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CQUN-[2-(5-methyl-4H-1,2,4-triazol-
3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-
4-amine
A3CQU0.71
JNFN-cyclohexyl-4-imidazo[1,2-a]pyridin-
3-yl-N-methylpyrimidin-2-amine
A3CGF0.75
AK31-(5-{2-[(1-methyl-1H-pyrazolo[4,3-
d]pyrimidin-7-yl)amino]ethyl}-1,3-
thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
A3D2I0.73
L0D2-(1H-pyrazol-3-yl)-1H-benzimidazoleA2W1D0.75
CK8N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-
PYRIMIDIN-2-YL]-N',N'-DIMETHYL-
BENZENE-1,4-DIAMINE
A,C2C5N0.72
CK8N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-
PYRIMIDIN-2-YL]-N',N'-DIMETHYL-
BENZENE-1,4-DIAMINE
A1PXP0.72
SCE3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-
a]pyrazin-8-amine
A2R3H0.74
TMG2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLEA1YVM0.76
HDUN-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-
3-YL)-2-PYRIMIDINYL]ACETAMIDE
A1OIQ0.72
9DA9-DEAZAADENINEA1L1R0.72
9DA9-DEAZAADENINEA1L1Q0.72
QQQ1-(1-methylethyl)-1H-benzimidazole-
2-sulfonic acid
A,B,C,D3GNC0.73
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
CP93-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN-
1-YL)BENZYL]-3H-BENZOTHIAZOL-2-
ONE
A1TV60.76
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
3FBV0.75
LID8-(2-CHLOROPHENYLAMINO)-2-(2,6-
DIFLUOROPHENYLAMINO)-9-ETHYL-9H-
PURINE-1,7-DIIUM
A2GTM0.7
STS2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-
1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM
A1Y8J0.72
FRV4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-
IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-
N-METHYLBENZENESULFONAMIDE
A2W060.7
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A,B2QXM0.76
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A1HZ00.76
MPIIMIDAZO[1,2-A]PYRIDINEA1AEM0.7
SX86-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-
b]pyridazin-3-yl]sulfanyl}quinoline
A3DKG0.76
SX86-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-
b]pyridazin-3-yl]sulfanyl}quinoline
A3DKF0.76
CK24-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-
2-AMINE
A,C2C5O0.7
CK24-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-
2-AMINE
A1PXJ0.7
I1P2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]-
A1URW0.75
BZIBENZIMIDAZOLEA1RYC0.7
BZIBENZIMIDAZOLEA1L5F0.7
BZIBENZIMIDAZOLEA1KXM0.7
6544-(2-THIENYL)-1-(4-METHYLBENZYL)-
1H-IMIDAZOLE
A,B1I2Z0.71
HDT4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-
2-YL)AMINO]BENZENESULFONAMIDE
A1OIT0.74
SC96-(2-fluorophenyl)-N-(pyridin-3-
ylmethyl)imidazo[1,2-a]pyrazin-
8-amine
A2R3G0.71
SB64-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-
5-(4-PYRIDYL)-IMIDAZOLE
A1BL60.71
P294-(2-(1H-IMIDAZOL-4-YL)ETHYLAMINO)-
2-(PHENYLAMINO)PYRAZOLO[1,5-A][1,3,5]TRIAZINE-
8-CARBONITRILE
A2PVM0.75
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