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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02344181

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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,B1JP30.74
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
A2W220.74
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.74
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.74
FPN4-FLUOROPHENOLA,B1XVD0.71
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.75
ETY4-ethylphenolA,B,C,D2RA60.71
MLGN-[3-(2,4-DICHLOROPHENOXY)PROPYL]-
N-METHYL-N-PROP-2-YNYLAMINE
A,B2BXR0.71
MLGN-[3-(2,4-DICHLOROPHENOXY)PROPYL]-
N-METHYL-N-PROP-2-YNYLAMINE
A,B2BXS0.71
MLGN-[3-(2,4-DICHLOROPHENOXY)PROPYL]-
N-METHYL-N-PROP-2-YNYLAMINE
A,B,C,D1O5W0.71
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.75
TRTFRAGMENT OF TRITON X-100A,E2I0U0.78
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.78
PCRP-CRESOLA1JHV0.71
PCRP-CRESOLA1JHU0.71
PCRP-CRESOLA,B,C,D1DIQ0.71
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.76
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.84
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.72
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.7
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.77
2612-ethoxyphenolX2RB10.84
2682-phenoxyethanolA2RBR0.89
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.75
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.83
IOL4-IODOPHENOLA,B1EWA0.71
BOP1-BROMO-4-METHOXYBENZENEC,F1RHQ0.8
IPHPHENOLA,B2OLD0.73
IPHPHENOLA,B,C,D2PZV0.73
IPHPHENOLA1LI20.73
IPHPHENOLA2J9N0.73
IPHPHENOLA,B,C,D2OMB0.73
IPHPHENOLA1JHX0.73
IPHPHENOLA,B,C,D2VE70.73
IPHPHENOLB,D,E,G,H,J,L1AI00.73
IPHPHENOLA,B,C,D1FOH0.73
IPHPHENOLA1V030.73
IPHPHENOLA,C,E,G,I,K5AIY0.73
IPHPHENOLB,D,F,H,J,L1AIY0.73
IPHPHENOLA,B1XU50.73
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.73
IPHPHENOLA,C,E,G,I,K4AIY0.73
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.73
IPHPHENOLA2AS30.73
IPHPHENOLA,B,C,D1ZEG0.73
IPHPHENOLA,B,C,D1PN00.73
IPHPHENOLA,B,C,D1XW70.73
IPHPHENOLA,C,E,G,I,K,M1QIY0.73
IPHPHENOLA,B,C,D1Q4V0.73
IPHPHENOLB1AI70.73
IPHPHENOLA1FJW0.73
IPHPHENOLB,C,D1RWE0.73
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.73
IPHPHENOLB,C,D3GKY0.73
IPHPHENOLA1JHY0.73
IPHPHENOLA,C,E,G,I,K3AIY0.73
IPHPHENOLA,B2OMN0.73
IPHPHENOLA,C,E,G,I,K2AIY0.73
IPHPHENOLA,B,D1MPJ0.73
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.73
IPHPHENOLB,C,D1LPH0.73
OXNOXTOXYNOL-10A1IKT0.74
OXNOXTOXYNOL-10A,B2Q320.74
OXNOXTOXYNOL-10A,B1UEH0.74
OXNOXTOXYNOL-10A,B2D4Q0.74
CRSM-CRESOLA,B,C,D1EV30.7
CRSM-CRESOLA,B,C,D,E,F2OMG0.7
CRSM-CRESOLA,B1UZ90.7
CRSM-CRESOLA,B,C,D1ZEH0.7
CRSM-CRESOLA,B,C,D,E,F1ZEI0.7
CRSM-CRESOLA,C,D,E7INS0.7
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.7
OA56-(2-phenoxyethoxy)-1,3,5-triazine-
2,4-diamine
A,B2W6Q0.71
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.7
COUCOUMARINA3CRB0.74
COUCOUMARINA2PMJ0.74
COUCOUMARINA2H900.74
COUCOUMARINA,B,C,D1Z100.74
COUCOUMARINA2PWB0.74
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.7
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.7
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol
A2ZFX0.7
258(2-chloroethoxy)benzeneX2RAY0.9
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.74
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.75
4403-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-
1-thiol
A3B920.75
FP22-fluorophenolA3CPO0.71
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.83
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
C,I,T1YTZ0.73
4HM4-HYDROPEROXY-2-METHOXY-PHENOLA1HU90.7
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.84
PSYphenyl ethenesulfonateA3BM80.71
PSYphenyl ethenesulfonateA3BLT0.71
GMN2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-
TRIETHYLETHANAMINIUM]
A,B1N5M0.72
AI73-(heptyloxy)benzoic acidA,B2O3Z0.7
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE
A,B,C1YA40.73
RSOR-STYRENE OXIDEA,B1PWZ0.71
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.75
MSB1-METHYLOXY-4-SULFONE-BENZENEA1EUB0.78
MSB1-METHYLOXY-4-SULFONE-BENZENEA1BM60.78
LJ42,6-dibromo-4-phenoxyphenolA,B3CN30.72