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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00024126

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
368(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-
1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE
A1ZLR0.72
3MP3-METHYLPYRIDINEA1EUB0.73
3MP3-METHYLPYRIDINEA1BM60.73
BRT5-BROMONICOTINAMIDEA,B1GXZ0.74
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID
A,B,C,D1H9U0.78
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium
A,B2WHR0.72
NA44-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-
PYRIDIN-3-YL]-BENZOIC ACID
A,C1RHM0.72
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCL0.8
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCJ0.8
NFL2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACIDA1TD70.76
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.72
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.78
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.78
D2GN-METHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE
A,B,C,D2FDV0.71
NCNNICOTINATE MONONUCLEOTIDEA,B2QTN0.77
NCNNICOTINATE MONONUCLEOTIDEA1L4F0.77
NCNNICOTINATE MONONUCLEOTIDEA1L4L0.77
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D1YUM0.77
NCNNICOTINATE MONONUCLEOTIDEA1L4M0.77
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D,E,F1QPN0.77
NCNNICOTINATE MONONUCLEOTIDEA,B,C2B7Q0.77
NCNNICOTINATE MONONUCLEOTIDEA1L4K0.77
NCNNICOTINATE MONONUCLEOTIDEA1L4G0.77
NCNNICOTINATE MONONUCLEOTIDEA1YTK0.77
NCNNICOTINATE MONONUCLEOTIDEA1L4H0.77
NCNNICOTINATE MONONUCLEOTIDEA1L5O0.77
D3EN-cyclopropyl-N-(trans-4-pyridin-
3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-
1-hydroxy-1-methylethyl]benzamide
A,B,C,D3D3E0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.78
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.78
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.78
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.78
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.78
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.78
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2G970.7
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2GVJ0.7
D1GN,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE
A,B,C,D2FDU0.72
D3G(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINEA,B,C,D2FDW0.72
NCANICOTINAMIDEA,B2E5D0.81
NCANICOTINAMIDEA,B,C,D2Z770.81
NCANICOTINAMIDEA,B1DMA0.81
NCANICOTINAMIDEA,B1ISM0.81
NCANICOTINAMIDEA,B1YC50.81
NCANICOTINAMIDEA2ZB70.81
NCANICOTINAMIDEA,B,C,D,E,F,
G,H
1R150.81
NCANICOTINAMIDEA,B2QQG0.81
NCANICOTINAMIDEA2OTV0.81
NCANICOTINAMIDEA2QHF0.81
NCANICOTINAMIDEA,B,C,D2C8A0.81
NCANICOTINAMIDEA,B2HJH0.81
NCANICOTINAMIDEA2A150.81
NCANICOTINAMIDEA2R6V0.81
NCANICOTINAMIDEA,B1ISI0.81
NCANICOTINAMIDEA,D,E2R9J0.81
NCANICOTINAMIDEA2H4J0.81
NCANICOTINAMIDEA,B2OD90.81
NCANICOTINAMIDEA,B,C,D,E1YC20.81
NCANICOTINAMIDEA,B3DZG0.81
NCANICOTINAMIDEA1OJU0.81
3HM5-hydroxy-6-methylpyridine-3-carboxylic acidA,B3GMC0.77
MYTMETYRAPONEA1PHG0.78
MYTMETYRAPONEA1W0G0.78