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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00097280

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
QNC2-CARBONYLQUINOLINEA,B1MTB0.75
QNC2-CARBONYLQUINOLINEA,B2FGV0.75
QNC2-CARBONYLQUINOLINEI1IVQ0.75
QNC2-CARBONYLQUINOLINEA,B2FGU0.75
QNC2-CARBONYLQUINOLINEA1JLD0.75
QNC2-CARBONYLQUINOLINEA,B1HXB0.75
34Q(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-
1-(quinoxalin-2-ylcarbonyl)pyrrolidin-
3-amine
A2RIP0.8
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.74
APY2-AMINOMETHYL-PYRIDINEI1IVP0.74
3AP3-AMINOPYRIDINEA1AEF0.72
QUI2-CARBOXYQUINOXALINEA1PFE0.87
QUI2-CARBOXYQUINOXALINEA,B2DA80.87
QUI2-CARBOXYQUINOXALINEA,C,E,G2ADW0.87
QUI2-CARBOXYQUINOXALINEA1VS20.87
QUI2-CARBOXYQUINOXALINEA1XVN0.87
QUI2-CARBOXYQUINOXALINEA,B185D0.87
QUI2-CARBOXYQUINOXALINEA1XVK0.87
QUI2-CARBOXYQUINOXALINEA,C1XVR0.87
QUI2-CARBOXYQUINOXALINEA,B3GO30.87
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione
A3FPM0.7
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.71
BO2N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-
N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE
2,H,K,N,V,Y2F160.71
2755-amino-1,2-dimethylpyridiniumX2RBW0.75
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.73
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.75
CNQ3-(4-CHLOROPHENYL)QUINOXALINE-5-
CARBOXAMIDE
A,B,C,D1WOK0.74
5IQISOQUINOLIN-5-AMINEA,B2F2T0.7
ISQISOQUINOLINEA1GDK0.7
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.7
2862-ethenyl-1-methylpyridiniumX2RC20.73
NCANICOTINAMIDEA,B2E5D0.71
NCANICOTINAMIDEA,B,C,D2Z770.71
NCANICOTINAMIDEA,B1DMA0.71
NCANICOTINAMIDEA,B1ISM0.71
NCANICOTINAMIDEA,B1YC50.71
NCANICOTINAMIDEA2ZB70.71
NCANICOTINAMIDEA,B,C,D,E,F,
G,H
1R150.71
NCANICOTINAMIDEA,B2QQG0.71
NCANICOTINAMIDEA2OTV0.71
NCANICOTINAMIDEA2QHF0.71
NCANICOTINAMIDEA,B,C,D2C8A0.71
NCANICOTINAMIDEA,B2HJH0.71
NCANICOTINAMIDEA2A150.71
NCANICOTINAMIDEA2R6V0.71
NCANICOTINAMIDEA,B1ISI0.71
NCANICOTINAMIDEA,D,E2R9J0.71
NCANICOTINAMIDEA2H4J0.71
NCANICOTINAMIDEA,B2OD90.71
NCANICOTINAMIDEA,B,C,D,E1YC20.71
NCANICOTINAMIDEA,B3DZG0.71
NCANICOTINAMIDEA1OJU0.71
4602-[5-(6-METHYLPYRIDIN-2-YL)-2,3-
DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE
A1VJY0.7
PHN1,10-PHENANTHROLINEA1LIH0.76
PHN1,10-PHENANTHROLINEA2LIG0.76
PHN1,10-PHENANTHROLINEA,B2FU70.76
QYT(5E)-5-(QUINOXALIN-6-YLMETHYLENE)-
1,3-THIAZOLIDINE-2,4-DIONE
A2A5U0.75
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.7
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.7