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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02984529

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
H1L(2S)-2-(4-{[3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-
2-YL]OXY}PHENOXY)PROPANOIC ACID		A,B,C1UYS0.76
0011-[2,2-DIFLUORO-2-(3,4,5-TRIMETHOXY-
PHENYL)-ACETYL]-PIPERIDINE-2-CARBOXYLIC ACID 4-
PHENYL-1-(3-PYRIDIN-3-YL-PROPYL)-
BUTYL ESTER		A,B,D1J4R0.7
PXG3-[O-PHOSPHONOPYRIDOXYL]--AMINO-
BENZOIC ACID		A1B9I0.72
896N-ETHYL-N-ISOPROPYL-3-METHYL-5-
{[(2S)-2-(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE		B,H2UUJ0.74
B713-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B2ZEU0.71
B713-(DECYLOXY)-1-(2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B2ZEV0.71
POS1-[[(4-PHENOXYPHENYL)SULFONYL]AMINO]-
3-[[N/N-(4-PYRIDINYLCARBONYL)-L-
LEUCYL]AMINO]-2-PROPANOL		A1AU20.73
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.75
DEH2,9-dihydroxy-3,10-dimethoxy-5,6-
dihydroisoquino[3,2-a]isoquinolinium		A3GSY0.71
DRD2-[(1-{3-[(6-BENZOYL-1-PROPYL-2-
NAPHTHYL)OXY]PROPYL}-1H-INDOL-4-
YL)OXY]-2-METHYLPROPANOIC ACID		A2HWR0.71
6691-(5-CARBOXYPENTYL)-5-(2,6-DICHLOROBENZYLOXY)-
1H-INDOLE-2-CARBOXYLIC ACID		A1MZS0.7
L92(2S)-3-{4-[3-(5-METHYL-2-PHENYL-
1,3-OXAZOL-4-YL)PROPYL]PHENYL}-
2-(1H-PYRROL-1-YL)PROPANOIC ACID		A2Q8S0.72
7213-butoxy-1-(2,2-diphosphonoethyl)pyridiniumA,B3DYH0.71
NNRNicotinamide ribosideA2QT00.76
NNRNicotinamide ribosideA2QT10.76
D1GN,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE		A,B,C,D2FDU0.79
9823-(CARBOXYMETHOXY)THIENO[2,3-B]PYRIDINE-
2-CARBOXYLIC ACID		A2AZR0.75
WAYN-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)-
PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL-
BENZAMIDE		A1FLS0.71
WAYN-HYDROXY-2-[(4-METHOXY-BENZENESULFONYL)-
PYRIDIN-3-YLMETHYL-AMINO]-3-METHYL-
BENZAMIDE		A1FM10.71
I05(3R,4R)-N-{4-[4-(2-FLUORO-6-HYDROXY-
3-METHOXY-BENZOYL)-BENZYLOXY]-AZEPAN-
3-YL}-ISONICOTINAMIDE		A1VEB0.7
NIONICOTINIC ACIDA1JHQ0.77
NIONICOTINIC ACIDA1L5L0.77
NIONICOTINIC ACIDA2F7F0.77
NIONICOTINIC ACIDA1L5K0.77
NIONICOTINIC ACIDA1JHY0.77
NIONICOTINIC ACIDA,B1FSL0.77
NIONICOTINIC ACIDA1L5M0.77
NIONICOTINIC ACIDA1LH60.77
NIONICOTINIC ACIDA1JHO0.77
NIONICOTINIC ACIDA3CI80.77
NIONICOTINIC ACIDA,B,C,D1ICU0.77
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H		3HRD0.77
NIONICOTINIC ACIDA1JHA0.77
NIONICOTINIC ACIDA1JHV0.77
NIONICOTINIC ACIDA1L4N0.77
NIONICOTINIC ACIDA2LH60.77
NIONICOTINIC ACIDA1D0V0.77
NIONICOTINIC ACIDA,B,C,D1ICV0.77
NIONICOTINIC ACIDA,B1ICR0.77
NIONICOTINIC ACIDA1JHR0.77
3HM5-hydroxy-6-methylpyridine-3-carboxylic acidA,B3GMC0.76
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCK0.78
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCM0.78
PIX4-(3-{[5-(trifluoromethyl)pyridin-
2-yl]oxy}benzyl)piperidine-1-carboxylic acid		A,B2WAP0.74
YPA(S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)-
PHENYL)-2-ETHOXY-PROPIONIC ACID		A1KNU0.71
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA2QSZ0.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA1TA80.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA1HYB0.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BAA0.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BA90.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1NUP0.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1NUS0.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1Y1P0.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B,C,D,E,F2GVG0.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BA80.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA3BAB0.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B3DZK0.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B,C1GZU0.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B2H3D0.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B2G960.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA2QG60.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B1ISJ0.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B3DZJ0.74
NMNBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATEA,B2HCT0.74
YSH1-[3-CYANO-4-(NEOPENTYLOXY)PHENYL]-
1H-PYRAZOLE-4-CARBOXYLIC ACID		A,B1VDV0.71
I01(4R)-4-(2-FLUORO-6-HYDROXY-3-METHOXY-
BENZOYL)-BENZOIC ACID (3R)-3-[(PYRIDINE-
4-CARBONYL)AMINO]-AZEPAN-4-YL ESTER		A1SVE0.72
NTMQUINOLINIC ACIDA3C2O0.75
NTMQUINOLINIC ACIDA,B1QAP0.75
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.75
NTMQUINOLINIC ACIDA,B,C2B7N0.75
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID		A,B,C,D1H9U0.71
608N-(4-phenoxyphenyl)-2-[(pyridin-
4-ylmethyl)amino]nicotinamide		A,B2P2I0.72
3405-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE-
4,7-DIONE		A,B,C,D1KBO0.71
DRY[(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}-
1H-INDOL-5-YL)OXY]ACETIC ACID		A2HWQ0.72
7141-(2,2-diphosphonoethyl)-3-(octyloxy)pyridiniumA,B3EFQ0.72
DRP2-DEOXYRIBOFURANOSYL-PYRIDINE-5'-
MONOPHOSPHATE		A,B1JES0.7
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCL0.72
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCJ0.72
D2GN-METHYL(5-(PYRIDIN-3-YL)FURAN-
2-YL)METHANAMINE		A,B,C,D2FDV0.77
PYU2-(1H-pyrrol-1-ylcarbonyl)benzene-
1,3,5-triol		A,B3EKO0.7
SDZ1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)-
PROPYL]-4-(2-PYRIDYL)-PIPERAZINE		11HRV0.73
H863-(decyloxy)-5-(3,5-difluorophenyl)-
1-(2,2-diphosphonoethyl)pyridinium		A,B2Z780.7
7221-(2,2-diphosphonoethyl)-3-(heptyloxy)pyridiniumA,B3EGT0.72
BT1{2-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-
PHENYL]-BENZO[B]THIOPHEN-3-YL}-
[4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL]-
METHANONE		B,H1D3T0.7
NCNNICOTINATE MONONUCLEOTIDEA,B2QTN0.81
NCNNICOTINATE MONONUCLEOTIDEA1L4F0.81
NCNNICOTINATE MONONUCLEOTIDEA1L4L0.81
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D1YUM0.81
NCNNICOTINATE MONONUCLEOTIDEA1L4M0.81
NCNNICOTINATE MONONUCLEOTIDEA,B,C,D,E,F1QPN0.81
NCNNICOTINATE MONONUCLEOTIDEA,B,C2B7Q0.81
NCNNICOTINATE MONONUCLEOTIDEA1L4K0.81
NCNNICOTINATE MONONUCLEOTIDEA1L4G0.81
NCNNICOTINATE MONONUCLEOTIDEA1YTK0.81
NCNNICOTINATE MONONUCLEOTIDEA1L4H0.81
NCNNICOTINATE MONONUCLEOTIDEA1L5O0.81
PCH3-AMINO-4-CYCLOHEXYL-1-(PYRIDIN-
4-YLOXY)BUTAN-2-OL		I1E820.74
368(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-
1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE		A1ZLR0.8
D3G(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINEA,B,C,D2FDW0.78
EHA(5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}-
1H-INDOL-1-YL)ACETIC ACID		A2F4B0.71
897N-[3-(TERT-BUTYLAMINO)-3-OXOPROPYL]-
N-ISOPROPYL-3-METHYL-5-{[(2S)-2-
(PYRIDIN-4-YLAMINO)PROPYL]OXY}BENZAMIDE		B,H2UUK0.74
3IP3-(BENZYLOXY)PYRIDIN-2-AMINEA1W7H0.71