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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02519553

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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,D1Y0G0.7
2MP3,4-DIMETHYLPHENOLA1L5O0.72
MCT4-METHYLCATECHOLA1L4G0.79
MCT4-METHYLCATECHOLA2EHZ0.79
MCT4-METHYLCATECHOLA,B1DMH0.79
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.71
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.74
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.7
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
EPTHEPTANYL-P-PHENOLA,B1AHZ0.73
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.71
CRSM-CRESOLA,B,C,D1EV30.73
CRSM-CRESOLA,B,C,D,E,F2OMG0.73
CRSM-CRESOLA,B1UZ90.73
CRSM-CRESOLA,B,C,D1ZEH0.73
CRSM-CRESOLA,B,C,D,E,F1ZEI0.73
CRSM-CRESOLA,C,D,E7INS0.73
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.73
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.73
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.74
226naphthalene-1,2,4,5,7-pentolA,B2NZ50.72
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
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.71
DAH3,4-DIHYDROXYPHENYLALANINEA,B1RNR0.7
DAH3,4-DIHYDROXYPHENYLALANINEA6PAH0.7
DAH3,4-DIHYDROXYPHENYLALANINEA,B1IVV0.7
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.75
AEF4-(2-aminoethyl)phenolA3BRA0.71
OX43-FLUORO-4-HYDROXYBENZALDEHYDE O-
(CYCLOHEXYLCARBONYL)OXIME
A,B,C2OOW0.75
D1NNAPHTHALENE-1,2-DIOLA2EI10.76
OX54-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIMEA,B,C2OOZ0.78
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.74
MBD3-METHYLCATECHOLA1KNF0.8
PCRP-CRESOLA1JHV0.72
PCRP-CRESOLA1JHU0.72
PCRP-CRESOLA,B,C,D1DIQ0.72
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.7
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.71
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.71
DESDIETHYLSTILBESTROLA,B3ERD0.71
DESDIETHYLSTILBESTROLA,B1TT60.71
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.71
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.73
ETY4-ethylphenolA,B,C,D2RA60.72
OX34-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIMEA,B,C2OOH0.77
2LP2-ALLYLPHENOLA1OV50.74
BPYBIPHENYL-2,3-DIOLA1KMY0.79
BPYBIPHENYL-2,3-DIOLB1KW80.79
BPYBIPHENYL-2,3-DIOLA2EI30.79
BPYBIPHENYL-2,3-DIOLA1EIR0.79
BPYBIPHENYL-2,3-DIOLB1KW60.79
BPYBIPHENYL-2,3-DIOLB1KWC0.79
BPYBIPHENYL-2,3-DIOLB1KW90.79
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
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.7
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.7
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.79
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.72
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.71
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.72
STLRESVERATROLA,B3CKL0.7
STLRESVERATROLA,B,C,D1U0W0.7
STLRESVERATROLA1CGZ0.7
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.7
STLRESVERATROLA1Z1F0.7
STLRESVERATROLA1DVS0.7
STLRESVERATROLA,B1SG00.7
IM3(2E)-3-(3,4-DIHYDROXYPHENYL)-2-
IMINOPROPANOIC ACID
A,B,C,D2E820.75
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.72
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.79