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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02411814

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BPQtert-butyl [(2-amino-4-oxo-4,7-
dihydro-3H-pyrrolo[2,3-d]pyrimidin-
5-yl)methyl]carbamate
A3BLL0.74
PQ02-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-
D]PYRIMIDINE-5-CARBONITRILE
A1P0B0.71
PQ02-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-
D]PYRIMIDINE-5-CARBONITRILE
A3GCA0.71
PQ02-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-
D]PYRIMIDINE-5-CARBONITRILE
A2PWV0.71
PQ02-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-
D]PYRIMIDINE-5-CARBONITRILE
A2QII0.71
PQ02-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-
D]PYRIMIDINE-5-CARBONITRILE
A,B1IT80.71
PRF7-DEAZA-7-AMINOMETHYL-GUANINEA2NQZ0.73
PRF7-DEAZA-7-AMINOMETHYL-GUANINEA2Z1X0.73
PRF7-DEAZA-7-AMINOMETHYL-GUANINEA,B,C3FU20.73
PRF7-DEAZA-7-AMINOMETHYL-GUANINEA3FU40.73
PRF7-DEAZA-7-AMINOMETHYL-GUANINEA1PXG0.73
PRF7-DEAZA-7-AMINOMETHYL-GUANINEA3BLD0.73
PRF7-DEAZA-7-AMINOMETHYL-GUANINEA1OZQ0.73
PRF7-DEAZA-7-AMINOMETHYL-GUANINEA2KFC0.73
PRF7-DEAZA-7-AMINOMETHYL-GUANINEA1EFZ0.73
PRF7-DEAZA-7-AMINOMETHYL-GUANINEA1P0E0.73
7GU7-DEAZA-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B2QEF0.88
7GU7-DEAZA-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,C1YQM0.88
7GU7-DEAZA-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEA,B2QEG0.88
7GU7-DEAZA-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATEB1U1M0.88
QUO2-AMINO-7-DEAZA-(2'',3''-DIHYDROXY-
CYCLOPENTYLAMINO)-GUANOSINE-5'-
MONOPHOSPHATE
A,B1C0A0.89
QUO2-AMINO-7-DEAZA-(2'',3''-DIHYDROXY-
CYCLOPENTYLAMINO)-GUANOSINE-5'-
MONOPHOSPHATE
C,D1EFW0.89
7DA7-DEAZA-2'-DEOXYADENOSINE-5'-MONOPHOSPHATEB1U1K0.7
5I57-(5-DEOXY-BETA-D-RIBOFURANOSYL)-
5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-
4-AMINE
A,B,C,D2I6A0.73
5ID(2R,3R,4S,5R)-2-(4-AMINO-5-IODO-
7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-
5-(HYDROXYMETHYL)TETRAHYDROFURAN-
3,4-DIOL
A,B2ZOQ0.76
5ID(2R,3R,4S,5R)-2-(4-AMINO-5-IODO-
7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-
5-(HYDROXYMETHYL)TETRAHYDROFURAN-
3,4-DIOL
A2VUW0.76
5ID(2R,3R,4S,5R)-2-(4-AMINO-5-IODO-
7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-
5-(HYDROXYMETHYL)TETRAHYDROFURAN-
3,4-DIOL
A,B,C,D2C470.76
QEI2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-
2-en-1-yl]amino}methyl)-3,7-dihydro-
4H-pyrrolo[2,3-d]pyrimidin-4-one
A3BLO0.78
TBN'2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-
7-YL)-5-HYDROXYMETHYL-TETRAHYDRO-
FURAN-3,4-DIOL
A,B,C1PR50.75
NGDA,B2O3U0.7
PQ1PHOSPHORIC ACID MONO-[5-(2-AMINO-
5-AMINOMETHYL-4-OXO-3,5-DIHYDRO-
4H-PYRIDO[2,3-D]PYRIMIDIN-8-YL)-
3,4-DIHYDROXY-TETRAHYDRO-FURAN-
2-YLMETHYL] ESTER
A,B,C,D,E1Q2S0.92