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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02983441

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,D1Y0G0.78
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.8
2MP3,4-DIMETHYLPHENOLA1L5O0.72
MBD3-METHYLCATECHOLA1KNF0.73
TTO(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-
ARSONIUM
A1HYZ0.71
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.74
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.7
B28A,B2E9A0.75
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.73
ESOO3-PHOSPHONOESTRONEB,C1ESS0.76
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.7
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.7
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,B2E9D0.75
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.75
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.76
2LP2-ALLYLPHENOLA1OV50.76
ANFANTHRONEH2BJM0.73
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.74
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.74
B08A,B2E990.75
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.72
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.72
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.71
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.77
BPYBIPHENYL-2,3-DIOLA1KMY0.74
BPYBIPHENYL-2,3-DIOLB1KW80.74
BPYBIPHENYL-2,3-DIOLA2EI30.74
BPYBIPHENYL-2,3-DIOLA1EIR0.74
BPYBIPHENYL-2,3-DIOLB1KW60.74
BPYBIPHENYL-2,3-DIOLB1KWC0.74
BPYBIPHENYL-2,3-DIOLB1KW90.74
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
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.72
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.72
EYK2-tert-butylbenzene-1,4-diolB3EYK0.72
2622-FORMYLPHENYL DIHYDROGEN PHOSPHATEA1O4D0.71
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.87
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.79
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.78
B65(1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-
1-sulfonic acid
A2ZCQ0.71
17M17-METHYL-17-ALPHA-DIHYDROEQUILENINA,B2B1Z0.72
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
PSNBENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4K0.76
MCT4-METHYLCATECHOLA1L4G0.7
MCT4-METHYLCATECHOLA2EHZ0.7
MCT4-METHYLCATECHOLA,B1DMH0.7
2PB2-[(DIOXIDOPHOSPHINO)OXY]BENZOATEA1SDE0.71
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.74
1NP1-NAPHTHOLX2ZVQ0.75
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.72
STLRESVERATROLA,B3CKL0.72
STLRESVERATROLA,B,C,D1U0W0.72
STLRESVERATROLA1CGZ0.72
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.72
STLRESVERATROLA1Z1F0.72
STLRESVERATROLA1DVS0.72
STLRESVERATROLA,B1SG00.72
PCRP-CRESOLA1JHV0.74
PCRP-CRESOLA1JHU0.74
PCRP-CRESOLA,B,C,D1DIQ0.74
D1NNAPHTHALENE-1,2-DIOLA2EI10.72
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.73
ETY4-ethylphenolA,B,C,D2RA60.74
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.82
DESDIETHYLSTILBESTROLA,B3ERD0.82
DESDIETHYLSTILBESTROLA,B1TT60.82
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.82
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
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.77
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.77
EPTHEPTANYL-P-PHENOLA,B1AHZ0.76
219CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4I0.75
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.7