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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03523792

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.8
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.81
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.75
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.77
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.74
BPYBIPHENYL-2,3-DIOLA1KMY0.72
BPYBIPHENYL-2,3-DIOLB1KW80.72
BPYBIPHENYL-2,3-DIOLA2EI30.72
BPYBIPHENYL-2,3-DIOLA1EIR0.72
BPYBIPHENYL-2,3-DIOLB1KW60.72
BPYBIPHENYL-2,3-DIOLB1KWC0.72
BPYBIPHENYL-2,3-DIOLB1KW90.72
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.72
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.73
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.73
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.73
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.73
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.73
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.73
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.71
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.71
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.71
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
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.7
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.7
ETY4-ethylphenolA,B,C,D2RA60.79
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.73
B65(1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-
1-sulfonic acid
A2ZCQ0.73
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.78
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.73
PSNBENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4K0.73
MBD3-METHYLCATECHOLA1KNF0.72
D1NNAPHTHALENE-1,2-DIOLA2EI10.71
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.84
DESDIETHYLSTILBESTROLA,B3ERD0.84
DESDIETHYLSTILBESTROLA,B1TT60.84
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.84
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.74
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.74
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.79
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.79
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.74
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.72
EPTHEPTANYL-P-PHENOLA,B1AHZ0.78
HC4A1TS60.73
HC4A3PHY0.73
HC4A3PYP0.73
HC4A1T1C0.73
HC4A1OT60.73
HC4A1TS00.73
HC4A1T1A0.73
HC4A2PYP0.73
HC4A2ZOI0.73
HC4A1OTI0.73
HC4A1XFQ0.73
HC4A2D010.73
HC4A,B,C,D,E,F,
G,H
2O7B0.73
HC4A2ZOH0.73
HC4A1GSW0.73
HC4A2QJ70.73
HC4A1F9I0.73
HC4X1UWP0.73
HC4A2PHY0.73
HC4A1T1B0.73
HC4A1F980.73
HC4A1T190.73
HC4X1UWN0.73
HC4A,B,C,D,E,F,
G,H
2O7F0.73
HC4A1UGU0.73
HC4A1TS80.73
HC4A,B1OTD0.73
HC4A1OTE0.73
HC4A1GSX0.73
HC4A1TS70.73
HC4A2PYR0.73
HC4A1S4S0.73
HC4A1GSV0.73
HC4A2I9V0.73
HC4A2QWS0.73
HC4A1XFN0.73
HC4A1S4R0.73
HC4A1T180.73
HC4A1OTA0.73
HC4A1D7E0.73
HC4A1S1Z0.73
HC4A,B,C1MZU0.73
HC4A,B1ODV0.73
HC4A,B2J3J0.73
HC4A2QJ50.73
HC4A1OTB0.73
HC4A2D020.73
HC4A1OT90.73
HC4A1NWZ0.73
HC4A1S1Y0.73
STLRESVERATROLA,B3CKL0.76
STLRESVERATROLA,B,C,D1U0W0.76
STLRESVERATROLA1CGZ0.76
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.76
STLRESVERATROLA1Z1F0.76
STLRESVERATROLA1DVS0.76
STLRESVERATROLA,B1SG00.76
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.71
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.74
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.71
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.87
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.73
2LP2-ALLYLPHENOLA1OV50.75
B08A,B2E990.71
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.77
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.77
2MP3,4-DIMETHYLPHENOLA1L5O0.76
PCRP-CRESOLA1JHV0.78
PCRP-CRESOLA1JHU0.78
PCRP-CRESOLA,B,C,D1DIQ0.78
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.81
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.71
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.78
ESOO3-PHOSPHONOESTRONEB,C1ESS0.73
1NP1-NAPHTHOLX2ZVQ0.72
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.71
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.71
EYK2-tert-butylbenzene-1,4-diolB3EYK0.71
MCT4-METHYLCATECHOLA1L4G0.74
MCT4-METHYLCATECHOLA2EHZ0.74
MCT4-METHYLCATECHOLA,B1DMH0.74
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.73
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.71
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.71
219CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4I0.73
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.73
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.73
CRSM-CRESOLA,B,C,D1EV30.76
CRSM-CRESOLA,B,C,D,E,F2OMG0.76
CRSM-CRESOLA,B1UZ90.76
CRSM-CRESOLA,B,C,D1ZEH0.76
CRSM-CRESOLA,B,C,D,E,F1ZEI0.76
CRSM-CRESOLA,C,D,E7INS0.76
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.76
B76A,B2E9D0.71