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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01961118

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
C532-IMINO-5-(1-PYRIDIN-2-YL-METH-
(E)-YLIDENE)-1,3-THIAZOLIDIN-4-
ONE
A2V0D0.7
Q2Y4-OXO-3-[2-(5-{[4-(QUINOXALIN-2-
YLAMINO)-BENZOYLAMINO]-METHYL}-
THIOPHEN-2-YL)-ACETYLAMINO]-PENTANOIC ACID
A1RWM0.71
PHN1,10-PHENANTHROLINEA1LIH0.75
PHN1,10-PHENANTHROLINEA2LIG0.75
PHN1,10-PHENANTHROLINEA,B2FU70.75
IMQ(2R,3R,4S)-2-(hydroxymethyl)-1-
(quinolin-8-ylmethyl)pyrrolidine-
3,4-diol
A,B3EPX0.71
QUI2-CARBOXYQUINOXALINEA1PFE0.76
QUI2-CARBOXYQUINOXALINEA,B2DA80.76
QUI2-CARBOXYQUINOXALINEA,C,E,G2ADW0.76
QUI2-CARBOXYQUINOXALINEA1VS20.76
QUI2-CARBOXYQUINOXALINEA1XVN0.76
QUI2-CARBOXYQUINOXALINEA,B185D0.76
QUI2-CARBOXYQUINOXALINEA1XVK0.76
QUI2-CARBOXYQUINOXALINEA,C1XVR0.76
QUI2-CARBOXYQUINOXALINEA,B3GO30.76
QYT(5E)-5-(QUINOXALIN-6-YLMETHYLENE)-
1,3-THIAZOLIDINE-2,4-DIONE
A2A5U0.87
CNQ3-(4-CHLOROPHENYL)QUINOXALINE-5-
CARBOXAMIDE
A,B,C,D1WOK0.72
AYM3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-
N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE
A,B1LXC0.7
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.74
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.75
34Q(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-
1-(quinoxalin-2-ylcarbonyl)pyrrolidin-
3-amine
A2RIP0.74
PYA3-(1,10-PHENANTHROL-2-YL)-L-ALANINEA1HCW0.74
NPHCYSTEINE-METHYLENE-CARBAMOYL-1,10-
PHENANTHROLINE
A1A180.78
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid
A,B2VYA0.77