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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02225229

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
NCANICOTINAMIDEA,B2E5D0.85
NCANICOTINAMIDEA,B,C,D2Z770.85
NCANICOTINAMIDEA,B1DMA0.85
NCANICOTINAMIDEA,B1ISM0.85
NCANICOTINAMIDEA,B1YC50.85
NCANICOTINAMIDEA2ZB70.85
NCANICOTINAMIDEA,B,C,D,E,F,
G,H
1R150.85
NCANICOTINAMIDEA,B2QQG0.85
NCANICOTINAMIDEA2OTV0.85
NCANICOTINAMIDEA2QHF0.85
NCANICOTINAMIDEA,B,C,D2C8A0.85
NCANICOTINAMIDEA,B2HJH0.85
NCANICOTINAMIDEA2A150.85
NCANICOTINAMIDEA2R6V0.85
NCANICOTINAMIDEA,B1ISI0.85
NCANICOTINAMIDEA,D,E2R9J0.85
NCANICOTINAMIDEA2H4J0.85
NCANICOTINAMIDEA,B2OD90.85
NCANICOTINAMIDEA,B,C,D,E1YC20.85
NCANICOTINAMIDEA,B3DZG0.85
NCANICOTINAMIDEA1OJU0.85
F102-[2-(2-FLUOROPHENYL)PYRIDIN-4-
YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE
X2P3G0.7
3MP3-METHYLPYRIDINEA1EUB0.75
3MP3-METHYLPYRIDINEA1BM60.75
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.72
PY7PYRIDIN-4-YLMETHANOLA2EUR0.7
MILMILRINONEA,B1TLM0.78
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.71
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2WHQ0.78
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2WHP0.78
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2GYU0.78
BRT5-BROMONICOTINAMIDEA,B1GXZ0.77
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.91
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.91
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.91
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.91
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.91
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.91
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.7
APY2-AMINOMETHYL-PYRIDINEI1IVP0.7
NTNISONICOTINAMIDINEA7ADH0.77
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.78
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEY0.77
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEZ0.77
MYTMETYRAPONEA1PHG0.75
MYTMETYRAPONEA1W0G0.75
U73N-(5-ISOPROPYL-THIAZOL-2-YL)-2-
PYRIDIN-3-YL-ACETAMIDE
A2BTR0.73
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.71
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2G970.75
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2GVJ0.75
IHZ5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-
3-carboxamide
A3DKO0.7
NIONICOTINIC ACIDA1JHQ0.71
NIONICOTINIC ACIDA1L5L0.71
NIONICOTINIC ACIDA2F7F0.71
NIONICOTINIC ACIDA1L5K0.71
NIONICOTINIC ACIDA1JHY0.71
NIONICOTINIC ACIDA,B1FSL0.71
NIONICOTINIC ACIDA1L5M0.71
NIONICOTINIC ACIDA1LH60.71
NIONICOTINIC ACIDA1JHO0.71
NIONICOTINIC ACIDA3CI80.71
NIONICOTINIC ACIDA,B,C,D1ICU0.71
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H
3HRD0.71
NIONICOTINIC ACIDA1JHA0.71
NIONICOTINIC ACIDA1JHV0.71
NIONICOTINIC ACIDA1L4N0.71
NIONICOTINIC ACIDA2LH60.71
NIONICOTINIC ACIDA1D0V0.71
NIONICOTINIC ACIDA,B,C,D1ICV0.71
NIONICOTINIC ACIDA,B1ICR0.71
NIONICOTINIC ACIDA1JHR0.71
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.72
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.72
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium
A,B2WHR0.82
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.72
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2GNF0.7
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2H9V0.7
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A,B2ETR0.7
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2GNJ0.7
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A1Q8T0.7