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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00607263

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.78
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.8
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.8
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.78
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.71
OBZO-benzylhydroxylamineA,B3DTH0.71
OBZO-benzylhydroxylamineA,B3DTG0.71
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.83
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.74
B28A,B2E9A0.74
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.75
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.75
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.75
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.75
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.75
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.75
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.72
SS11-PHENYLETHANOLH1UM50.78
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A1BW70.73
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A,T2VA30.73
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A,B,D,F2V9W0.73
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
A,B,D,E,F2VA20.73
DFT1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-
5-METHYL-BENZENE-5'MONOPHOSPHATE
1,21EEK0.73
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.71
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.73
B08A,B2E990.74
2NAnaphthalen-2-ylmethanolA,B,C3EE50.74
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.74
DESDIETHYLSTILBESTROLA,B3ERD0.74
DESDIETHYLSTILBESTROLA,B1TT60.74
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.74
NF2(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO-
5-METHYLPHENYL)-5-O-PHOSPHONO-D-
RIBITOL
A,B2G920.72
NF2(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO-
5-METHYLPHENYL)-5-O-PHOSPHONO-D-
RIBITOL
A,B,C,D2Q1O0.72
FFD(1R)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)-
5-O-phosphono-D-erythro-pentitol
A,B,C,D,E,F,
G,H,I,J,K,L
2PIS0.74
PFB2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOLA,B1MGO0.72
PFB2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOLA,B1HLD0.72
PEL2-PHENYL-ETHANOLA,B1I0D0.74
PEL2-PHENYL-ETHANOLD,H2I0T0.74
PEL2-PHENYL-ETHANOLA,B1HZY0.74
PEL2-PHENYL-ETHANOLA,B1I0B0.74
PEL2-PHENYL-ETHANOLA1EYW0.74
PEL2-PHENYL-ETHANOLA,B1JGM0.74
MNN(S)-MANDELIC ACID NITRILEA1YB60.72
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.8
SS2(1R)-1-PHENYLETHANOLA1ZK00.78
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.78
SS2(1R)-1-PHENYLETHANOLA1ZJY0.78
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.77
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.72
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.73
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.73
341(3,5-difluorophenyl)methanolC3EON0.79
12M(2-ETHYLPHENYL)METHANOLA,B2F620.78
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.7
PYYD-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATEA1G2J0.71
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.72
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.72
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.71
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.75