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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00095039

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NCANICOTINAMIDEA,B2E5D0.75
NCANICOTINAMIDEA,B,C,D2Z770.75
NCANICOTINAMIDEA,B1DMA0.75
NCANICOTINAMIDEA,B1ISM0.75
NCANICOTINAMIDEA,B1YC50.75
NCANICOTINAMIDEA2ZB70.75
NCANICOTINAMIDEA,B,C,D,E,F,
G,H		1R150.75
NCANICOTINAMIDEA,B2QQG0.75
NCANICOTINAMIDEA2OTV0.75
NCANICOTINAMIDEA2QHF0.75
NCANICOTINAMIDEA,B,C,D2C8A0.75
NCANICOTINAMIDEA,B2HJH0.75
NCANICOTINAMIDEA2A150.75
NCANICOTINAMIDEA2R6V0.75
NCANICOTINAMIDEA,B1ISI0.75
NCANICOTINAMIDEA,D,E2R9J0.75
NCANICOTINAMIDEA2H4J0.75
NCANICOTINAMIDEA,B2OD90.75
NCANICOTINAMIDEA,B,C,D,E1YC20.75
NCANICOTINAMIDEA,B3DZG0.75
NCANICOTINAMIDEA1OJU0.75
AGE(2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)-
1H-pyrrol-2-yl]prop-2-enamide		A,B,C3F070.71
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
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCL0.71
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCJ0.71
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1I430.74
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid		A3FR20.71
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.74
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.74
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid		A3FR50.73
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCK0.74
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCM0.74
FXVMETHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-
3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE		A1KSN0.73
P10[1-(3-HYDROXY-2-OXO-1-PHENETHYL-
PROPYLCARBAMOYL)2-PHENYL-ETHYL]-
CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER		A1ME30.71
368(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-
1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE		A1ZLR0.74
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.71
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.73
PM21-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-
3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE		A,B,C,D2BM20.74
BDEN'-[(1E)-(3,5-DIBROMO-2,4-DIHYDROXYPHENYL)METHYLENE]NICOTINOHYDRAZIDEA,B,C,D,E,F2GLP0.8
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B,C2W2I0.74
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA2GKL0.74
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2VD70.74
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2JIG0.74
ZZA1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACIDA,B,D2VCW0.7
IHZ5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-
3-carboxamide		A3DKO0.71
8592-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)BENZAMIDE		A,B2NO30.71
R69N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE		A1XH40.7
R69N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-
3-YL]ISONICOTINAMIDE		A1XH90.7
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID		A1Z8N0.71
PF3(2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]-
THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID		A,B1UTZ0.71
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B,C,D1W6F0.7
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2V2E0.7
ISZ4-(DIAZENYLCARBONYL)PYRIDINEX2VCF0.7
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCS0.7
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA2VCN0.7
ISZ4-(DIAZENYLCARBONYL)PYRIDINEA,B1XR30.7
NA44-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-
PYRIDIN-3-YL]-BENZOIC ACID		A,C1RHM0.82
MYTMETYRAPONEA1PHG0.74
MYTMETYRAPONEA1W0G0.74
K274-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-
1-yl}propyl)pyridinium		A,B2WHR0.71
MMG4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-yl)benzoic acid		A3HDM0.71
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYN0.73
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYK0.73
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A2QYL0.73
8STN-(4-chlorophenyl)-2-[(pyridin-
4-ylmethyl)amino]benzamide		A3HNG0.7
P3FPHOSPHORIC ACID MONO-(5-HYDROXY-
6-METHYL-4-{[2-(2-TRIFLUOROMETHYL-
BENZOYLAMINO)-ACETYL]-HYDRAZONOMETHYL}-
PYRIDIN-3-YLMETHYL)ESTER		A,B2FQ60.7
24XH,L2EC90.77
QNDQUINALDIC ACIDA,B1IDA0.73
PXG3-[O-PHOSPHONOPYRIDOXYL]--AMINO-
BENZOIC ACID		A1B9I0.71
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID		A,B,C,D1H9U0.8
NNRNicotinamide ribosideA2QT00.7
NNRNicotinamide ribosideA2QT10.7
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.75
D3G(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINEA,B,C,D2FDW0.72
4PPC,L1XKA0.74
4PPA,B,C,D1XKB0.74
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.74
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE		A2G190.71
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE		A2G1M0.71
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.76
BMSA,B1DKF0.76
NTMQUINOLINIC ACIDA3C2O0.77
NTMQUINOLINIC ACIDA,B1QAP0.77
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.77
NTMQUINOLINIC ACIDA,B,C2B7N0.77
NFL2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACIDA1TD70.77
3HM5-hydroxy-6-methylpyridine-3-carboxylic acidA,B3GMC0.7
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.73
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2G970.74
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE		A,B2GVJ0.74
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.74
D2GN-METHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE		A,B,C,D2FDV0.7
D3EN-cyclopropyl-N-(trans-4-pyridin-
3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-
1-hydroxy-1-methylethyl]benzamide		A,B,C,D3D3E0.78
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