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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00254063

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2G970.71
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2GVJ0.71
ISQISOQUINOLINEA1GDK0.71
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID
A,B,C,D1H9U0.72
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2WHQ0.74
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2WHP0.74
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2GYU0.74
MILMILRINONEA,B1TLM0.73
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T
1UW60.71
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.71
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.71
3MP3-METHYLPYRIDINEA1EUB0.77
3MP3-METHYLPYRIDINEA1BM60.77
NCNNICOTINATE MONONUCLEOTIDEA,B2QTN0.72
NCNNICOTINATE MONONUCLEOTIDEA1L4F0.72
NCNNICOTINATE MONONUCLEOTIDEA1L4L0.72
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D1YUM0.72
NCNNICOTINATE MONONUCLEOTIDEA1L4M0.72
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D,E,F1QPN0.72
NCNNICOTINATE MONONUCLEOTIDEA,B,C2B7Q0.72
NCNNICOTINATE MONONUCLEOTIDEA1L4K0.72
NCNNICOTINATE MONONUCLEOTIDEA1L4G0.72
NCNNICOTINATE MONONUCLEOTIDEA1YTK0.72
NCNNICOTINATE MONONUCLEOTIDEA1L4H0.72
NCNNICOTINATE MONONUCLEOTIDEA1L5O0.72
D3EN-cyclopropyl-N-(trans-4-pyridin-
3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-
1-hydroxy-1-methylethyl]benzamide
A,B,C,D3D3E0.71
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium
A,B2WHR0.76
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.83
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.83
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.83
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.83
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.83
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.83
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.79
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.79
MYTMETYRAPONEA1PHG0.77
MYTMETYRAPONEA1W0G0.77
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.71
3HM5-hydroxy-6-methylpyridine-3-carboxylic acidA,B3GMC0.72
NFL2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACIDA1TD70.7
NCANICOTINAMIDEA,B2E5D0.79
NCANICOTINAMIDEA,B,C,D2Z770.79
NCANICOTINAMIDEA,B1DMA0.79
NCANICOTINAMIDEA,B1ISM0.79
NCANICOTINAMIDEA,B1YC50.79
NCANICOTINAMIDEA2ZB70.79
NCANICOTINAMIDEA,B,C,D,E,F,
G,H
1R150.79
NCANICOTINAMIDEA,B2QQG0.79
NCANICOTINAMIDEA2OTV0.79
NCANICOTINAMIDEA2QHF0.79
NCANICOTINAMIDEA,B,C,D2C8A0.79
NCANICOTINAMIDEA,B2HJH0.79
NCANICOTINAMIDEA2A150.79
NCANICOTINAMIDEA2R6V0.79
NCANICOTINAMIDEA,B1ISI0.79
NCANICOTINAMIDEA,D,E2R9J0.79
NCANICOTINAMIDEA2H4J0.79
NCANICOTINAMIDEA,B2OD90.79
NCANICOTINAMIDEA,B,C,D,E1YC20.79
NCANICOTINAMIDEA,B3DZG0.79
NCANICOTINAMIDEA1OJU0.79
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEY0.74
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEZ0.74
BRT5-BROMONICOTINAMIDEA,B1GXZ0.71
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCL0.84
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCJ0.84