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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00452945

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2682-phenoxyethanolA2RBR0.7
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.79
TRTFRAGMENT OF TRITON X-100A,E2I0U0.77
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.77
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.74
EGC2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-
TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-
ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-
ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL
A,B1JP30.73
EGC2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-
TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-
ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-
ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL
A2W220.73
B76A,B2E9D0.75
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.72
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.71
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.73
OXNOXTOXYNOL-10A1IKT0.73
OXNOXTOXYNOL-10A,B2Q320.73
OXNOXTOXYNOL-10A,B1UEH0.73
OXNOXTOXYNOL-10A,B2D4Q0.73
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.72
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.77
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.85
3002-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATEA1O410.74
B65(1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-
1-sulfonic acid
A2ZCQ0.81
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.72
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.72
STH2-AMINO-4H-1,3-BENZOXATHIIN-4-OLA,B,C,D1XKL0.71
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.7
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.7
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.73
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.72
EINA1ZS00.72
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL
C,F1KYW0.71
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.7
FINA1ZVX0.72
MSB1-METHYLOXY-4-SULFONE-BENZENEA1EUB0.72
MSB1-METHYLOXY-4-SULFONE-BENZENEA1BM60.72
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
C,I,T1YTZ0.73
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.71
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.79
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.76
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.76
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.76
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.76
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.76
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.76
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.76
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.76
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.84
CRSM-CRESOLA,B,C,D1EV30.71
CRSM-CRESOLA,B,C,D,E,F2OMG0.71
CRSM-CRESOLA,B1UZ90.71
CRSM-CRESOLA,B,C,D1ZEH0.71
CRSM-CRESOLA,B,C,D,E,F1ZEI0.71
CRSM-CRESOLA,C,D,E7INS0.71
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.71