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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01242952

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
3AP3-AMINOPYRIDINEA1AEF0.72
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.77
5IQISOQUINOLIN-5-AMINEA,B2F2T0.71
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.75
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.75
QUI2-CARBOXYQUINOXALINEA1PFE0.88
QUI2-CARBOXYQUINOXALINEA,B2DA80.88
QUI2-CARBOXYQUINOXALINEA,C,E,G2ADW0.88
QUI2-CARBOXYQUINOXALINEA1VS20.88
QUI2-CARBOXYQUINOXALINEA1XVN0.88
QUI2-CARBOXYQUINOXALINEA,B185D0.88
QUI2-CARBOXYQUINOXALINEA1XVK0.88
QUI2-CARBOXYQUINOXALINEA,C1XVR0.88
QUI2-CARBOXYQUINOXALINEA,B3GO30.88
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.75
APY2-AMINOMETHYL-PYRIDINEI1IVP0.75
4602-[5-(6-METHYLPYRIDIN-2-YL)-2,3-
DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE
A1VJY0.71
NPHCYSTEINE-METHYLENE-CARBAMOYL-1,10-
PHENANTHROLINE
A1A180.71
PHN1,10-PHENANTHROLINEA1LIH0.78
PHN1,10-PHENANTHROLINEA2LIG0.78
PHN1,10-PHENANTHROLINEA,B2FU70.78
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid
A,B2VYA0.76
3B3(2S)-1-AMINO-3-[(5-NITROQUINOLIN-
8-YL)AMINO]PROPAN-2-OL
A2CGV0.71
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.75
CNQ3-(4-CHLOROPHENYL)QUINOXALINE-5-
CARBOXAMIDE
A,B,C,D1WOK0.71
2862-ethenyl-1-methylpyridiniumX2RC20.74
PYA3-(1,10-PHENANTHROL-2-YL)-L-ALANINEA1HCW0.75
2755-amino-1,2-dimethylpyridiniumX2RBW0.76
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid
A,B2QYN0.73
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid
A,B2QYK0.73
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid
A2QYL0.73
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.7
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.74
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.74
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEY0.7
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEZ0.7
ISQISOQUINOLINEA1GDK0.7
QYT(5E)-5-(QUINOXALIN-6-YLMETHYLENE)-
1,3-THIAZOLIDINE-2,4-DIONE
A2A5U0.78
34Q(3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-
1-(quinoxalin-2-ylcarbonyl)pyrrolidin-
3-amine
A2RIP0.74
985(2E)-3-{3-[6-(4-methyl-1,4-diazepan-
1-yl)pyrazin-2-yl]phenyl}prop-2-
enoic acid
A3F2A0.76
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2WHQ0.71
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2WHP0.71
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2GYU0.71
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.72