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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01294828

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3BI(2S)-2-{[(R)-[(3R)-3-carboxy-3-
{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}propyl](hydroxy)phosphoryl]methyl}pentanedioic acid
A3BI10.7
1PU1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-
PYRROLO[2,1-A]ISOINDOL-9-YL)-3-
PYRIDIN-2-YL-UREA
A1GII0.74
1PU1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-
PYRROLO[2,1-A]ISOINDOL-9-YL)-3-
PYRIDIN-2-YL-UREA
A1GIH0.74
1N8N-{2-[(N,N-DIETHYLGLYCYL)AMINO]-
5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-
3-[2-(METHYLAMINO)QUINAZOLIN-6-
YL]BENZAMIDE
A,B2OG80.71
319N-({4-[(2-aminopyridin-4-yl)oxy]-
3-fluorophenyl}carbamoyl)-2-(4-
fluorophenyl)acetamide
A3CTH0.71
3JZN-methyl-N-{2-[({2-[(2-oxo-2,3-
dihydro-1H-indol-5-yl)amino]-5-
(trifluoromethyl)pyrimidin-4-yl}amino)methyl]phenyl}methanesulfonamide
A3FZR0.71
20A1-ethyl-N-(phenylmethyl)-4-(tetrahydro-
2H-pyran-4-ylamino)-1H-pyrazolo[3,4-
b]pyridine-5-carboxamide
A3D3P0.74
325N-{2,4-difluoro-3-[(5-pyridin-3-
yl-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]phenyl}ethanesulfonamide
A3C4D0.7
2181-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-HYDROXYETHYL)-2-
METHYLPYRIDINIUM
A2HOP0.73
368(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-
1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE
A1ZLR0.75
24XH,L2EC90.78
2FR3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-
1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide
A3DBC0.7
2SMmethyl 2-{[(4-methylpyrimidin-2-
yl)carbamoyl]sulfamoyl}benzoate
A3EA40.78
199N-{5-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-
1H-PYRROLO[2,3-B]PYRIDIN-3-YL}NICOTINAMIDE
A1ZYS0.73
406N-[3-(4,5'-BIPYRIMIDIN-2-YLAMINO)-
4-METHYLPHENYL]-4-{[(3S)-3-(DIMETHYLAMINO)PYRROLIDIN-
1-YL]METHYL}-3-(TRIFLUOROMETHYL)BENZAMIDE
A,B2E2B0.73
3BA7-amino-2-tert-butyl-4-{[2-(1H-
imidazol-4-yl)ethyl]amino}pyrido[2,3-
d]pyrimidine-6-carboxamide
A3BAA0.71
3284-({4-[(4-methoxypyridin-2-yl)amino]piperidin-
1-yl}carbonyl)benzonitrile
A,B3EAI0.72
3BD7-amino-2-tert-butyl-4-(4-pyrimidin-
2-ylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-
6-carboxamide
A3BAB0.72
2423-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-
N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE
A,B2OFV0.73
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID
A1Z8N0.7
1SMMETHYL 2-[({[(4,6-DIMETHYLPYRIMIDIN-
2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE
A,B1T9C0.73
1SMMETHYL 2-[({[(4,6-DIMETHYLPYRIMIDIN-
2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE
A1YI00.73