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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02157852

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.73
BPYBIPHENYL-2,3-DIOLA1KMY0.7
BPYBIPHENYL-2,3-DIOLB1KW80.7
BPYBIPHENYL-2,3-DIOLA2EI30.7
BPYBIPHENYL-2,3-DIOLA1EIR0.7
BPYBIPHENYL-2,3-DIOLB1KW60.7
BPYBIPHENYL-2,3-DIOLB1KWC0.7
BPYBIPHENYL-2,3-DIOLB1KW90.7
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.74
ETY4-ethylphenolA,B,C,D2RA60.71
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
C,I,T1YTZ0.71
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.78
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
LJ22,6-dibromo-4-[(E)-2-phenylethenyl]phenolA,B3CN10.73
258(2-chloroethoxy)benzeneX2RAY0.75
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.75
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.75
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.71
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.76
OXNOXTOXYNOL-10A1IKT0.72
OXNOXTOXYNOL-10A,B2Q320.72
OXNOXTOXYNOL-10A,B1UEH0.72
OXNOXTOXYNOL-10A,B2D4Q0.72
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,B1JP30.72
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
A2W220.72
OEF3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACIDA2J4A0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PIT0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ10.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PIU0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PKL0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A,B3D570.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ20.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2QPY0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ00.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NUO0.71
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A,B2PIN0.71
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.72
LJ42,6-dibromo-4-phenoxyphenolA,B3CN30.76
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.71
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IME0.71
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IMD0.71
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.72
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.77
2LP2-ALLYLPHENOLA1OV50.71
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.7
B65(1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-
1-sulfonic acid
A2ZCQ0.74
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B2I0G0.7
I0G(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
8-OL
A,B,C,D2I0J0.7
2682-phenoxyethanolA2RBR0.74
1NP1-NAPHTHOLX2ZVQ0.71
COUCOUMARINA3CRB0.76
COUCOUMARINA2PMJ0.76
COUCOUMARINA2H900.76
COUCOUMARINA,B,C,D1Z100.76
COUCOUMARINA2PWB0.76
LJ33,5-dibromobiphenyl-4-olA,B3CN20.71
SC41[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-
4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-
BENZENE
1,41EAH0.71
SC41[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]-
4-[2,6-DICHLORO-PHENYL-OXYMETHYL]-
BENZENE
1,43EPF0.71
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.71
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.71
DESDIETHYLSTILBESTROLA,B3ERD0.71
DESDIETHYLSTILBESTROLA,B1TT60.71
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.71
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
A,B,C,D,E2EWP0.7
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.73
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.77
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM
A1FJ50.7
TRTFRAGMENT OF TRITON X-100A,E2I0U0.76
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.76
2MP3,4-DIMETHYLPHENOLA1L5O0.71
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.77
PCRP-CRESOLA1JHV0.7
PCRP-CRESOLA1JHU0.7
PCRP-CRESOLA,B,C,D1DIQ0.7
8CM8-HYDROXYCOUMARINA2H8Z0.7
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.7
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
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.73
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE
A,B,C1YA40.74
BOP1-BROMO-4-METHOXYBENZENEC,F1RHQ0.75
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.74
NOANAPHTHYLOXYACETIC ACIDI1IVP0.74
YR3(2S)-3-{4-[1-ethyl-1-(4-{[(2R)-
2-hydroxy-3,3-dimethylbutyl]oxy}-
3-methylphenyl)propyl]-2-methylphenoxy}propane-
1,2-diol
A2ZFX0.73