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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02482866

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CRSM-CRESOLA,B,C,D1EV30.74
CRSM-CRESOLA,B,C,D,E,F2OMG0.74
CRSM-CRESOLA,B1UZ90.74
CRSM-CRESOLA,B,C,D1ZEH0.74
CRSM-CRESOLA,B,C,D,E,F1ZEI0.74
CRSM-CRESOLA,C,D,E7INS0.74
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.74
2MP3,4-DIMETHYLPHENOLA1L5O0.72
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.71
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.71
MCT4-METHYLCATECHOLA1L4G0.79
MCT4-METHYLCATECHOLA2EHZ0.79
MCT4-METHYLCATECHOLA,B1DMH0.79
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.7
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.7
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.73
EYK2-tert-butylbenzene-1,4-diolB3EYK0.73
LDPL-DOPAMINEA,B2A3R0.78
LDPL-DOPAMINEA5PAH0.78
LDPL-DOPAMINEA,B2QMZ0.78
LDPL-DOPAMINEA,B2VQ50.78
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.73
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.73
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.71
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.75
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.72
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.74
OX54-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIMEA,B,C2OOZ0.75
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,D1Y0G0.72
D1NNAPHTHALENE-1,2-DIOLA2EI10.8
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDM,N,O,P,Q,R3PCN0.72
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDB1AI40.72
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D1Q0C0.72
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B1F1V0.72
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1J3F0.7
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1UFJ0.7
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1V9Q0.7
EPTHEPTANYL-P-PHENOLA,B1AHZ0.72
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.75
DAH3,4-DIHYDROXYPHENYLALANINEA,B1RNR0.7
DAH3,4-DIHYDROXYPHENYLALANINEA6PAH0.7
DAH3,4-DIHYDROXYPHENYLALANINEA,B1IVV0.7
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.77
CAQCATECHOLB2BUY0.71
CAQCATECHOLA1KND0.71
CAQCATECHOLB2BUQ0.71
CAQCATECHOLA,B1DLT0.71
CAQCATECHOLA1XEP0.71
CAQCATECHOLA2PUM0.71
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.75
DESDIETHYLSTILBESTROLA,B3ERD0.75
DESDIETHYLSTILBESTROLA,B1TT60.75
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.75
AEF4-(2-aminoethyl)phenolA3BRA0.71
OX43-FLUORO-4-HYDROXYBENZALDEHYDE O-
(CYCLOHEXYLCARBONYL)OXIME
A,B,C2OOW0.75
BPYBIPHENYL-2,3-DIOLA1KMY0.84
BPYBIPHENYL-2,3-DIOLB1KW80.84
BPYBIPHENYL-2,3-DIOLA2EI30.84
BPYBIPHENYL-2,3-DIOLA1EIR0.84
BPYBIPHENYL-2,3-DIOLB1KW60.84
BPYBIPHENYL-2,3-DIOLB1KWC0.84
BPYBIPHENYL-2,3-DIOLB1KW90.84
1NP1-NAPHTHOLX2ZVQ0.76
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.78
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.71
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.73
ANFANTHRONEH2BJM0.71
PCRP-CRESOLA1JHV0.72
PCRP-CRESOLA1JHU0.72
PCRP-CRESOLA,B,C,D1DIQ0.72
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.75
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.73
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.76
2LP2-ALLYLPHENOLA1OV50.75
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.82
ETY4-ethylphenolA,B,C,D2RA60.72
MBD3-METHYLCATECHOLA1KNF0.82
OX34-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIMEA,B,C2OOH0.77
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.72
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE
A2EW60.71
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.74
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.74
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.74
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.72
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.76
DHCCAFFEIC ACIDA1KOU0.76
LNRL-NOREPINEPHRINEA,B2QEO0.73
LNRL-NOREPINEPHRINEA3DYE0.73
LNRL-NOREPINEPHRINEA4PAH0.73
TY33-HYDROXY-L-TYROSINEA,B2VH30.7
STLRESVERATROLA,B3CKL0.75
STLRESVERATROLA,B,C,D1U0W0.75
STLRESVERATROLA1CGZ0.75
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.75
STLRESVERATROLA1Z1F0.75
STLRESVERATROLA1DVS0.75
STLRESVERATROLA,B1SG00.75
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.8
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.7
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.7
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.7
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.74
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.76
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.71
IM3(2E)-3-(3,4-DIHYDROXYPHENYL)-2-
IMINOPROPANOIC ACID
A,B,C,D2E820.75