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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00050462

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HPSPHENYL DIHYDROGEN PHOSPHATEA1O4O0.85
2612-ethoxyphenolX2RB10.77
FPN4-FLUOROPHENOLA,B1XVD0.71
B65(1R)-4-(3-phenoxyphenyl)-1-phosphonobutane-
1-sulfonic acid
A2ZCQ0.7
TRTFRAGMENT OF TRITON X-100A,E2I0U0.7
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.7
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.72
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.72
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.86
GVFBENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)]A2UVM0.72
IPHPHENOLA,B2OLD0.74
IPHPHENOLA,B,C,D2PZV0.74
IPHPHENOLA1LI20.74
IPHPHENOLA2J9N0.74
IPHPHENOLA,B,C,D2OMB0.74
IPHPHENOLA1JHX0.74
IPHPHENOLA,B,C,D2VE70.74
IPHPHENOLB,D,E,G,H,J,L1AI00.74
IPHPHENOLA,B,C,D1FOH0.74
IPHPHENOLA1V030.74
IPHPHENOLA,C,E,G,I,K5AIY0.74
IPHPHENOLB,D,F,H,J,L1AIY0.74
IPHPHENOLA,B1XU50.74
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.74
IPHPHENOLA,C,E,G,I,K4AIY0.74
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.74
IPHPHENOLA2AS30.74
IPHPHENOLA,B,C,D1ZEG0.74
IPHPHENOLA,B,C,D1PN00.74
IPHPHENOLA,B,C,D1XW70.74
IPHPHENOLA,C,E,G,I,K,M1QIY0.74
IPHPHENOLA,B,C,D1Q4V0.74
IPHPHENOLB1AI70.74
IPHPHENOLA1FJW0.74
IPHPHENOLB,C,D1RWE0.74
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.74
IPHPHENOLB,C,D3GKY0.74
IPHPHENOLA1JHY0.74
IPHPHENOLA,C,E,G,I,K3AIY0.74
IPHPHENOLA,B2OMN0.74
IPHPHENOLA,C,E,G,I,K2AIY0.74
IPHPHENOLA,B,D1MPJ0.74
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.74
IPHPHENOLB,C,D1LPH0.74
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.84
CAQCATECHOLB2BUY0.71
CAQCATECHOLA1KND0.71
CAQCATECHOLB2BUQ0.71
CAQCATECHOLA,B1DLT0.71
CAQCATECHOLA1XEP0.71
CAQCATECHOLA2PUM0.71
MSB1-METHYLOXY-4-SULFONE-BENZENEA1EUB0.79
MSB1-METHYLOXY-4-SULFONE-BENZENEA1BM60.79
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C8V0.7
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C290.7
IOL4-IODOPHENOLA,B1EWA0.71
258(2-chloroethoxy)benzeneX2RAY0.78
2682-phenoxyethanolA2RBR0.81
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.71
BOP1-BROMO-4-METHOXYBENZENEC,F1RHQ0.78
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.86
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.91
4HM4-HYDROPEROXY-2-METHOXY-PHENOLA1HU90.74
FP22-fluorophenolA3CPO0.71
BR3(6-METHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL)METHYLPHOSPHINATE
A1PE50.76
F9F2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATEA,B2CLI0.72
F9F2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATEA,B2CLL0.72
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.7
B76A,B2E9D0.71