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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00114818

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
K05(E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN-
1-YL)METHYLENE]BENZOHYDRAZIDE
A,B2I5J0.71
C61(2R,4S,5S,7S)-5-AMINO-N-BUTYL-4-
HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]-
2,8-DIMETHYLNONANAMIDE
C,O2V100.72
Y124-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-
1-EN-1-YL}-1,2-PHENYLENE DIACETATE
A2EW50.71
3MB3-METHOXYBENZAMIDEA3PAX0.76
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.77
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OTF0.73
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2NUV0.73
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OUB0.73
DRRA,B3BXR0.7
MR11-(1,3-BENZODIOXOL-5-YL)METHANAMINEA2ORQ0.7
HWGN-(TERT-BUTYL)-3,5-DIMETHYL-N'-
[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-
6-YL)CARBONYL]BENZOHYDRAZIDE
A,D1R200.77
4SR(4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-
2-ONE
A,B1XN00.75
C41ALISKIRENC,O2V0Z0.71
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.73
1BA4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDEA2GPP0.71
VXXVANILLATEA,B1WB60.71
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.72
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.72
ROLROLIPRAMA,B,C,D1OYN0.75
ROLROLIPRAMA,B1XMY0.75
ROLROLIPRAMA,B,C,D1Q9M0.75
ROLROLIPRAMA,B1RO60.75
ROLROLIPRAMA,B1XN00.75
ROLROLIPRAMA,B1TBB0.75
FIL(1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O-
(AMINOCARBONYL)OXIME
A,B1XLZ0.71
HTAN-[3-(N'-HYDROXYCARBOXAMIDO)-2-
(2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE-
N-METHYLAMIDE
A1FBL0.72
142CARBIDOPAA,B1JS30.76
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.7
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.71
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.72
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.71
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.71
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2QZZ0.72
EMFethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylateA,B2R2G0.72
BEK2,3,5,6-TETRAFLUORO-4-METHOXY-BENZAMIDEA1KJR0.7
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.83
ZAR6-(4-DIFLUOROMETHOXY-3-METHOXY-
PHENYL)-2H-PYRIDAZIN-3-ONE
A,B1XOR0.75
ZAR6-(4-DIFLUOROMETHOXY-3-METHOXY-
PHENYL)-2H-PYRIDAZIN-3-ONE
A,B,C,D,E,F,
G,H,I,J,K,L
1MKD0.75