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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02533066

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.71
S91[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENYL]ACETIC ACID		A2Z8C0.74
S91[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-
2-YL}AMINO)PHENYL]ACETIC ACID		A2Z7L0.74
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B,C2W2I0.72
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA2GKL0.72
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2VD70.72
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2JIG0.72
SAS2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACIDA,B13GS0.7
24XH,L2EC90.79
MMG4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-yl)benzoic acid		A3HDM0.72
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCK0.75
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCM0.75
NA44-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-
PYRIDIN-3-YL]-BENZOIC ACID		A,C1RHM0.73
G444-({[4-(3-METHYLBENZOYL)PYRIDIN-
2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE		C,D2PKS0.73
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.7
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.7
AXD2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)-
5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)-
4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID		B2I030.71
3HM5-hydroxy-6-methylpyridine-3-carboxylic acidA,B3GMC0.71
368(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-
1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE		A1ZLR0.75
FXVMETHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-
3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE		A1KSN0.7
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
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCL0.7
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCJ0.7
8592-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)BENZAMIDE		A,B2NO30.74
4PPC,L1XKA0.72
4PPA,B,C,D1XKB0.72
NIXNALIDIXIC ACIDA,B2BQ20.78
NFL2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACIDA1TD70.84
PD8PHOSPHORYLATED DIHYDROPTEROATEA1W780.71
D3EN-cyclopropyl-N-(trans-4-pyridin-
3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-
1-hydroxy-1-methylethyl]benzamide		A,B,C,D3D3E0.73
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID		A,B,C,D1H9U0.79
MYTMETYRAPONEA1PHG0.75
MYTMETYRAPONEA1W0G0.75
BFU1-(5-BROMO-PYRIDIN-2-YL)-3-[2-(6-
FLUORO-2-HYDROXY-3-PROPIONYL-PHENYL)-
CYCLOPROPYL]-UREA		A1EET0.72
DZF5-DEAZAFOLIC ACIDA,B2DHF0.72
DZF5-DEAZAFOLIC ACIDA,B1DYH0.72
DZF5-DEAZAFOLIC ACIDA,B,C,D1CDE0.72
985(2E)-3-{3-[6-(4-methyl-1,4-diazepan-
1-yl)pyrazin-2-yl]phenyl}prop-2-
enoic acid		A3F2A0.71
C92N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-
4-methyl-benzene-1,3-dicarboxamide		A,B3CPB0.71
BMSA,B1DKF0.71
NTMQUINOLINIC ACIDA3C2O0.77
NTMQUINOLINIC ACIDA,B1QAP0.77
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.77
NTMQUINOLINIC ACIDA,B,C2B7N0.77
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.73
PAQ2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDINE)PHENYLALANINEA,B,C,D2C110.75
PAQ2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDINE)PHENYLALANINEA,B1SPU0.75
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID		A1Z8N0.7
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.73
NIONICOTINIC ACIDA1JHQ0.81
NIONICOTINIC ACIDA1L5L0.81
NIONICOTINIC ACIDA2F7F0.81
NIONICOTINIC ACIDA1L5K0.81
NIONICOTINIC ACIDA1JHY0.81
NIONICOTINIC ACIDA,B1FSL0.81
NIONICOTINIC ACIDA1L5M0.81
NIONICOTINIC ACIDA1LH60.81
NIONICOTINIC ACIDA1JHO0.81
NIONICOTINIC ACIDA3CI80.81
NIONICOTINIC ACIDA,B,C,D1ICU0.81
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H		3HRD0.81
NIONICOTINIC ACIDA1JHA0.81
NIONICOTINIC ACIDA1JHV0.81
NIONICOTINIC ACIDA1L4N0.81
NIONICOTINIC ACIDA2LH60.81
NIONICOTINIC ACIDA1D0V0.81
NIONICOTINIC ACIDA,B,C,D1ICV0.81
NIONICOTINIC ACIDA,B1ICR0.81
NIONICOTINIC ACIDA1JHR0.81
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1I430.71