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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02746418

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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
2SMmethyl 2-{[(4-methylpyrimidin-2-
yl)carbamoyl]sulfamoyl}benzoate
A3EA40.71
Q2Y4-OXO-3-[2-(5-{[4-(QUINOXALIN-2-
YLAMINO)-BENZOYLAMINO]-METHYL}-
THIOPHEN-2-YL)-ACETYLAMINO]-PENTANOIC ACID
A1RWM0.71
TFG2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-
5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-
7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-
1,1-DIOL
A,B2VQQ0.72
TFG2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-
5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-
7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-
1,1-DIOL
A,B2VQO0.72
TFG2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-
5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-
7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-
1,1-DIOL
A2VQJ0.72
SAS2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACIDA,B13GS0.72
NIXNALIDIXIC ACIDA,B2BQ20.71
608N-(4-phenoxyphenyl)-2-[(pyridin-
4-ylmethyl)amino]nicotinamide
A,B2P2I0.71
NTMQUINOLINIC ACIDA3C2O0.71
NTMQUINOLINIC ACIDA,B1QAP0.71
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.71
NTMQUINOLINIC ACIDA,B,C2B7N0.71
PT1PTEROIC ACIDA,B1TX00.7
PT1PTEROIC ACIDA1BR60.7
PT1PTEROIC ACIDA,B1HWP0.7
AXD2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)-
5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)-
4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID
B2I030.71
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCK0.7
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCM0.7
368(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-
1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE
A1ZLR0.73
BTH4-OXO-3-{6-[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-
PENTANOIC ACID
A1RWO0.7
PD8PHOSPHORYLATED DIHYDROPTEROATEA1W780.71
8592-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)BENZAMIDE
A,B2NO30.75
DZF5-DEAZAFOLIC ACIDA,B2DHF0.72
DZF5-DEAZAFOLIC ACIDA,B1DYH0.72
DZF5-DEAZAFOLIC ACIDA,B,C,D1CDE0.72
NFL2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACIDA1TD70.92
NIONICOTINIC ACIDA1JHQ0.76
NIONICOTINIC ACIDA1L5L0.76
NIONICOTINIC ACIDA2F7F0.76
NIONICOTINIC ACIDA1L5K0.76
NIONICOTINIC ACIDA1JHY0.76
NIONICOTINIC ACIDA,B1FSL0.76
NIONICOTINIC ACIDA1L5M0.76
NIONICOTINIC ACIDA1LH60.76
NIONICOTINIC ACIDA1JHO0.76
NIONICOTINIC ACIDA3CI80.76
NIONICOTINIC ACIDA,B,C,D1ICU0.76
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H
3HRD0.76
NIONICOTINIC ACIDA1JHA0.76
NIONICOTINIC ACIDA1JHV0.76
NIONICOTINIC ACIDA1L4N0.76
NIONICOTINIC ACIDA2LH60.76
NIONICOTINIC ACIDA1D0V0.76
NIONICOTINIC ACIDA,B,C,D1ICV0.76
NIONICOTINIC ACIDA,B1ICR0.76
NIONICOTINIC ACIDA1JHR0.76
24XH,L2EC90.74