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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03693838

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
C1D1-(2-{[(6-AMINO-2-METHYLPYRIDIN-
3-YL)METHYL]AMINO}ETHYL)-6-CHLORO-
3-[(2,2-DIFLUORO-2-PYRIDIN-2-YLETHYL)AMINO]-
1,4-DIHYDROPYRAZIN-2-OL
H,I2BXU0.7
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.72
PHN1,10-PHENANTHROLINEA1LIH0.75
PHN1,10-PHENANTHROLINEA2LIG0.75
PHN1,10-PHENANTHROLINEA,B2FU70.75
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.72
APY2-AMINOMETHYL-PYRIDINEI1IVP0.72
QUI2-CARBOXYQUINOXALINEA1PFE0.82
QUI2-CARBOXYQUINOXALINEA,B2DA80.82
QUI2-CARBOXYQUINOXALINEA,C,E,G2ADW0.82
QUI2-CARBOXYQUINOXALINEA1VS20.82
QUI2-CARBOXYQUINOXALINEA1XVN0.82
QUI2-CARBOXYQUINOXALINEA,B185D0.82
QUI2-CARBOXYQUINOXALINEA1XVK0.82
QUI2-CARBOXYQUINOXALINEA,C1XVR0.82
QUI2-CARBOXYQUINOXALINEA,B3GO30.82
2755-amino-1,2-dimethylpyridiniumX2RBW0.75
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.75
PYF3-PYRIDINYLCARBINOLA,B1R160.7
2862-ethenyl-1-methylpyridiniumX2RC20.73
IMQ(2R,3R,4S)-2-(hydroxymethyl)-1-
(quinolin-8-ylmethyl)pyrrolidine-
3,4-diol
A,B3EPX0.77
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
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.7
34Q(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-
1-(quinoxalin-2-ylcarbonyl)pyrrolidin-
3-amine
A2RIP0.7
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid
A,B2VYA0.72
M2C(2S)-2-AMINO-4-(METHYLSULFANYL)-
1-PYRIDIN-2-YLBUTANE-1,1-DIOL
A1QXY0.72
4602-[5-(6-METHYLPYRIDIN-2-YL)-2,3-
DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE
A1VJY0.72