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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00015773

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.71
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.74
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.8
4MU7-hydroxy-4-methyl-2H-chromen-2-
one
A,B3ETS0.76
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.72
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.71
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.73
SXXSINAPINATEA,B1WB40.74
JT63-[(4'-cyanobiphenyl-4-yl)oxy]-
N-hydroxypropanamide
A2JT60.7
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.72
4HM4-HYDROPEROXY-2-METHOXY-PHENOLA1HU90.71
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.73
ANN4-METHOXYBENZOIC ACIDA2B960.72
ANN4-METHOXYBENZOIC ACIDA2QUE0.72
ANN4-METHOXYBENZOIC ACIDA1SV30.72
ANN4-METHOXYBENZOIC ACIDA1O2E0.72
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.72
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.72
TRTFRAGMENT OF TRITON X-100A,E2I0U0.73
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.73
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.7
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN
C,D1CJF0.73
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL
C,D,E1EZV0.72
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL
A,C,D,E1P840.72
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL
C,D,E2IBZ0.72
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL
A,C,D,E1KB90.72
WST(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
9-OL
A,B2POG0.72
COUCOUMARINA3CRB0.71
COUCOUMARINA2PMJ0.71
COUCOUMARINA2H900.71
COUCOUMARINA,B,C,D1Z100.71
COUCOUMARINA2PWB0.71
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.72
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.75
EGT2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-
3,5,7-TRIOL
A1JNQ0.7
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.76
STLRESVERATROLA,B3CKL0.73
STLRESVERATROLA,B,C,D1U0W0.73
STLRESVERATROLA1CGZ0.73
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.73
STLRESVERATROLA1Z1F0.73
STLRESVERATROLA1DVS0.73
STLRESVERATROLA,B1SG00.73
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL
C,F1KYW0.76
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.76
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.77
6676-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN-
3-O-SULFAMATE
A1TTM0.71
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.72
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.73