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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01737060

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3AP3-AMINOPYRIDINEA1AEF0.72
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.77
ISQISOQUINOLINEA1GDK0.71
QYT(5E)-5-(QUINOXALIN-6-YLMETHYLENE)-
1,3-THIAZOLIDINE-2,4-DIONE
A2A5U0.71
PYF3-PYRIDINYLCARBINOLA,B1R160.73
PYA3-(1,10-PHENANTHROL-2-YL)-L-ALANINEA1HCW0.71
PHN1,10-PHENANTHROLINEA1LIH0.78
PHN1,10-PHENANTHROLINEA2LIG0.78
PHN1,10-PHENANTHROLINEA,B2FU70.78
PY7PYRIDIN-4-YLMETHANOLA2EUR0.73
M2C(2S)-2-AMINO-4-(METHYLSULFANYL)-
1-PYRIDIN-2-YLBUTANE-1,1-DIOL
A1QXY0.71
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.75
2862-ethenyl-1-methylpyridiniumX2RC20.74
2755-amino-1,2-dimethylpyridiniumX2RBW0.76
5IQISOQUINOLIN-5-AMINEA,B2F2T0.72
QUI2-CARBOXYQUINOXALINEA1PFE0.86
QUI2-CARBOXYQUINOXALINEA,B2DA80.86
QUI2-CARBOXYQUINOXALINEA,C,E,G2ADW0.86
QUI2-CARBOXYQUINOXALINEA1VS20.86
QUI2-CARBOXYQUINOXALINEA1XVN0.86
QUI2-CARBOXYQUINOXALINEA,B185D0.86
QUI2-CARBOXYQUINOXALINEA1XVK0.86
QUI2-CARBOXYQUINOXALINEA,C1XVR0.86
QUI2-CARBOXYQUINOXALINEA,B3GO30.86
3B3(2S)-1-AMINO-3-[(5-NITROQUINOLIN-
8-YL)AMINO]PROPAN-2-OL
A2CGV0.75
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.73
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.73
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid
A,B2VYA0.72
IMQ(2R,3R,4S)-2-(hydroxymethyl)-1-
(quinolin-8-ylmethyl)pyrrolidine-
3,4-diol
A,B3EPX0.75
4602-[5-(6-METHYLPYRIDIN-2-YL)-2,3-
DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE
A1VJY0.72
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.76
APY2-AMINOMETHYL-PYRIDINEI1IVP0.76
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.72