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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02258041

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.74
APY2-AMINOMETHYL-PYRIDINEI1IVP0.74
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.76
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.74
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.71
2755-amino-1,2-dimethylpyridiniumX2RBW0.75
PYA3-(1,10-PHENANTHROL-2-YL)-L-ALANINEA1HCW0.79
PHN1,10-PHENANTHROLINEA1LIH0.77
PHN1,10-PHENANTHROLINEA2LIG0.77
PHN1,10-PHENANTHROLINEA,B2FU70.77
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.75
CNQ3-(4-CHLOROPHENYL)QUINOXALINE-5-
CARBOXAMIDE
A,B,C,D1WOK0.71
5IQISOQUINOLIN-5-AMINEA,B2F2T0.7
2862-ethenyl-1-methylpyridiniumX2RC20.73
3AP3-AMINOPYRIDINEA1AEF0.71
34Q(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-
1-(quinoxalin-2-ylcarbonyl)pyrrolidin-
3-amine
A2RIP0.74
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid
A,B2VYA0.73
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDA,D,E,G,I,J1S320.7
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDD,I,J1M180.7
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M1A0.7
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M190.7
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.73
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.72
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.72
4602-[5-(6-METHYLPYRIDIN-2-YL)-2,3-
DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE
A1VJY0.7
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.71
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.71
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.75