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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01752890

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.73
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.71
ETY4-ethylphenolA,B,C,D2RA60.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.74
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.74
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.74
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.74
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.74
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.74
B08A,B2E990.7
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.71
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.73
EPTHEPTANYL-P-PHENOLA,B1AHZ0.72
PYYD-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATEA1G2J0.72
2LP2-ALLYLPHENOLA1OV50.71
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.76
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.7
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.72
RSOR-STYRENE OXIDEA,B1PWZ0.7
SS2(1R)-1-PHENYLETHANOLA1ZK00.8
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.8
SS2(1R)-1-PHENYLETHANOLA1ZJY0.8
8PP2-[(2E,6E,10E,14E,18E,22E,26E)-
3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-
2,6,10,14,18,22,26,30-OCTAENYL]PHENOL
A,B,C,D1Y0G0.71
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.73
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.71
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
2PIS0.71
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.71
DESDIETHYLSTILBESTROLA,B3ERD0.71
DESDIETHYLSTILBESTROLA,B1TT60.71
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.71
OBZO-benzylhydroxylamineA,B3DTH0.7
OBZO-benzylhydroxylamineA,B3DTG0.7
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.71
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.79
PEL2-PHENYL-ETHANOLA,B1I0D0.73
PEL2-PHENYL-ETHANOLD,H2I0T0.73
PEL2-PHENYL-ETHANOLA,B1HZY0.73
PEL2-PHENYL-ETHANOLA,B1I0B0.73
PEL2-PHENYL-ETHANOLA1EYW0.73
PEL2-PHENYL-ETHANOLA,B1JGM0.73
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.73
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.79
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.77
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.75
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.75
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.73
SS11-PHENYLETHANOLH1UM50.8
12M(2-ETHYLPHENYL)METHANOLA,B2F620.78
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.72
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.72
341(3,5-difluorophenyl)methanolC3EON0.71
MNN(S)-MANDELIC ACID NITRILEA1YB60.73