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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03523443

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.81
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.81
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.78
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.81
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.75
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.73
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.71
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.73
EYK2-tert-butylbenzene-1,4-diolB3EYK0.73
ETY4-ethylphenolA,B,C,D2RA60.76
B65(1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-
1-sulfonic acid
A2ZCQ0.72
HC4A1TS60.7
HC4A3PHY0.7
HC4A3PYP0.7
HC4A1T1C0.7
HC4A1OT60.7
HC4A1TS00.7
HC4A1T1A0.7
HC4A2PYP0.7
HC4A2ZOI0.7
HC4A1OTI0.7
HC4A1XFQ0.7
HC4A2D010.7
HC4A,B,C,D,E,F,
G,H
2O7B0.7
HC4A2ZOH0.7
HC4A1GSW0.7
HC4A2QJ70.7
HC4A1F9I0.7
HC4X1UWP0.7
HC4A2PHY0.7
HC4A1T1B0.7
HC4A1F980.7
HC4A1T190.7
HC4X1UWN0.7
HC4A,B,C,D,E,F,
G,H
2O7F0.7
HC4A1UGU0.7
HC4A1TS80.7
HC4A,B1OTD0.7
HC4A1OTE0.7
HC4A1GSX0.7
HC4A1TS70.7
HC4A2PYR0.7
HC4A1S4S0.7
HC4A1GSV0.7
HC4A2I9V0.7
HC4A2QWS0.7
HC4A1XFN0.7
HC4A1S4R0.7
HC4A1T180.7
HC4A1OTA0.7
HC4A1D7E0.7
HC4A1S1Z0.7
HC4A,B,C1MZU0.7
HC4A,B1ODV0.7
HC4A,B2J3J0.7
HC4A2QJ50.7
HC4A1OTB0.7
HC4A2D020.7
HC4A1OT90.7
HC4A1NWZ0.7
HC4A1S1Y0.7
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.78
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.71
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.74
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
B76A,B2E9D0.73
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.78
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.74
MCT4-METHYLCATECHOLA1L4G0.71
MCT4-METHYLCATECHOLA2EHZ0.71
MCT4-METHYLCATECHOLA,B1DMH0.71
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,D1Y0G0.77
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.73
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.73
PSNBENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4K0.74
2LP2-ALLYLPHENOLA1OV50.76
DRQ(9ALPHA,13BETA,17BETA)-2-[(1Z)-
BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE-
3,17-DIOL
A,B2G5O0.7
BPYBIPHENYL-2,3-DIOLA1KMY0.75
BPYBIPHENYL-2,3-DIOLB1KW80.75
BPYBIPHENYL-2,3-DIOLA2EI30.75
BPYBIPHENYL-2,3-DIOLA1EIR0.75
BPYBIPHENYL-2,3-DIOLB1KW60.75
BPYBIPHENYL-2,3-DIOLB1KWC0.75
BPYBIPHENYL-2,3-DIOLB1KW90.75
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.75
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.75
2MP3,4-DIMETHYLPHENOLA1L5O0.73
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.72
MBD3-METHYLCATECHOLA1KNF0.72
B28A,B2E9A0.72
D1NNAPHTHALENE-1,2-DIOLA2EI10.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.79
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.79
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.74
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.71
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.74
B08A,B2E990.73
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.7
ANFANTHRONEH2BJM0.71
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.88
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.85
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
1NP1-NAPHTHOLX2ZVQ0.73
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.73
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.7
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.7
OBPA,B2DE30.71
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.78
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.7
2992,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATEA1O4E0.72
EPTHEPTANYL-P-PHENOLA,B1AHZ0.79
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.72
ESOO3-PHOSPHONOESTRONEB,C1ESS0.74
219CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4I0.73
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.72
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.71
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.83
DESDIETHYLSTILBESTROLA,B3ERD0.83
DESDIETHYLSTILBESTROLA,B1TT60.83
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.83
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.77
PCRP-CRESOLA1JHV0.75
PCRP-CRESOLA1JHU0.75
PCRP-CRESOLA,B,C,D1DIQ0.75
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.79