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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00021239

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.73
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.73
DB12,3-DIHYDROXYBENZAMIDEA,B,C1X710.73
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.76
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.76
E201-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-
2-YL)METHYL]PIPERIDINE
A1EVE0.74
MR11-(1,3-BENZODIOXOL-5-YL)METHANAMINEA2ORQ0.73
3MB3-METHOXYBENZAMIDEA3PAX0.87
SYRSYRINGATEA,B1WB50.71
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.77
IN31-(N-BENZYLOXYCARBONYL-L-LEUCINYL)-
5-(3-BENZYLOXY BENZOYL)CARBOHYDRAZIDE
A1AYW0.71
HWGN-(TERT-BUTYL)-3,5-DIMETHYL-N'-
[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-
6-YL)CARBONYL]BENZOHYDRAZIDE
A,D1R200.82
F6F2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATEA,B2CLM0.71
F6F2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATEA,B2CLF0.71
F6F2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATEA,B2CLE0.71
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.71
ANN4-METHOXYBENZOIC ACIDA2B960.7
ANN4-METHOXYBENZOIC ACIDA2QUE0.7
ANN4-METHOXYBENZOIC ACIDA1SV30.7
ANN4-METHOXYBENZOIC ACIDA1O2E0.7
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.7
4MP1-(4-METHOXYBENZOYL)-2-PYRROLIDINONEA,B2AL50.76
BEK2,3,5,6-TETRAFLUORO-4-METHOXY-BENZAMIDEA1KJR0.76
VXXVANILLATEA,B1WB60.73
3002-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATEA1O410.71
DPAA,B1PIK0.71
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.75
1BA4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDEA2GPP0.76
K05(E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN-
1-YL)METHYLENE]BENZOHYDRAZIDE
A,B2I5J0.75
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.71
ZAR6-(4-DIFLUOROMETHOXY-3-METHOXY-
PHENYL)-2H-PYRIDAZIN-3-ONE
A,B1XOR0.73
ZAR6-(4-DIFLUOROMETHOXY-3-METHOXY-
PHENYL)-2H-PYRIDAZIN-3-ONE
A,B,C,D,E,F,
G,H,I,J,K,L
1MKD0.73
YE65-(2-chlorophenyl)furan-2-carbohydrazideA2P9A0.74
YE65-(2-chlorophenyl)furan-2-carbohydrazideA2P990.74
TMSN-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-
PHENYL)-VINYL]-BENZAMIDE
A,B1X6W0.72