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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006902

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.76
258(2-chloroethoxy)benzeneX2RAY0.74
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN
C,D1CJF0.72
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.7
S24S-(2,4-dihydroxyphenyl) hydrogen thiocarbonateA2OSF0.7
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL
C,F1KYW0.78
FP22-fluorophenolA3CPO0.74
4HM4-HYDROPEROXY-2-METHOXY-PHENOLA1HU90.87
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.71
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.76
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L
1TI40.8
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLE0.8
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL
C,D,E1EZV0.72
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL
A,C,D,E1P840.72
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL
C,D,E2IBZ0.72
UQ65-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-
2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-
6-METHYL-BENZENE-1,4-DIOL
A,C,D,E1KB90.72
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.71
EPTHEPTANYL-P-PHENOLA,B1AHZ0.7
WST(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
9-OL
A,B2POG0.72
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.72
MSB1-METHYLOXY-4-SULFONE-BENZENEA1EUB0.74
MSB1-METHYLOXY-4-SULFONE-BENZENEA1BM60.74
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.71
GMN2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-
TRIETHYLETHANAMINIUM]
A,B1N5M0.73
PCRP-CRESOLA1JHV0.72
PCRP-CRESOLA1JHU0.72
PCRP-CRESOLA,B,C,D1DIQ0.72
CAQCATECHOLB2BUY0.73
CAQCATECHOLA1KND0.73
CAQCATECHOLB2BUQ0.73
CAQCATECHOLA,B1DLT0.73
CAQCATECHOLA1XEP0.73
CAQCATECHOLA2PUM0.73
EGT2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-
3,5,7-TRIOL
A1JNQ0.7
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K
2OLY0.84
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y
2OM10.84
RCORESORCINOLA,B,C,E,G,H,
I,K
2OLZ0.84
RCORESORCINOLA,B,C,D,E,F2OMH0.84
RCORESORCINOLA,B,C,E,G,H,
I,J,K
2OMI0.84
RCORESORCINOLA,B,C,D,E,G,
I,J,K
1EVR0.84
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.84
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y
2OM00.84
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JJ10.71
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.72
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.7
IOL4-IODOPHENOLA,B1EWA0.74
BTTBENZENE-1,2,4,5-TETROLA,B,C,D,E,F,
G,H,I,J,K,L
1TI60.77
BTTBENZENE-1,2,4,5-TETROLM,N,O,P,Q,R,
S,T,U,V,W,X
1VLF0.77
ETY4-ethylphenolA,B,C,D2RA60.72
2682-phenoxyethanolA2RBR0.79
IPHPHENOLA,B2OLD0.76
IPHPHENOLA,B,C,D2PZV0.76
IPHPHENOLA1LI20.76
IPHPHENOLA2J9N0.76
IPHPHENOLA,B,C,D2OMB0.76
IPHPHENOLA1JHX0.76
IPHPHENOLA,B,C,D2VE70.76
IPHPHENOLB,D,E,G,H,J,L1AI00.76
IPHPHENOLA,B,C,D1FOH0.76
IPHPHENOLA1V030.76
IPHPHENOLA,C,E,G,I,K5AIY0.76
IPHPHENOLB,D,F,H,J,L1AIY0.76
IPHPHENOLA,B1XU50.76
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.76
IPHPHENOLA,C,E,G,I,K4AIY0.76
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.76
IPHPHENOLA2AS30.76
IPHPHENOLA,B,C,D1ZEG0.76
IPHPHENOLA,B,C,D1PN00.76
IPHPHENOLA,B,C,D1XW70.76
IPHPHENOLA,C,E,G,I,K,M1QIY0.76
IPHPHENOLA,B,C,D1Q4V0.76
IPHPHENOLB1AI70.76
IPHPHENOLA1FJW0.76
IPHPHENOLB,C,D1RWE0.76
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.76
IPHPHENOLB,C,D3GKY0.76
IPHPHENOLA1JHY0.76
IPHPHENOLA,C,E,G,I,K3AIY0.76
IPHPHENOLA,B2OMN0.76
IPHPHENOLA,C,E,G,I,K2AIY0.76
IPHPHENOLA,B,D1MPJ0.76
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.76
IPHPHENOLB,C,D1LPH0.76
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.7
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.7
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.7
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.7
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.7
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.7
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.7
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.7
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.7
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.7
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.7
2612-ethoxyphenolX2RB10.81
STLRESVERATROLA,B3CKL0.75
STLRESVERATROLA,B,C,D1U0W0.75
STLRESVERATROLA1CGZ0.75
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.75
STLRESVERATROLA1Z1F0.75
STLRESVERATROLA1DVS0.75
STLRESVERATROLA,B1SG00.75
SXXSINAPINATEA,B1WB40.76
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.76
4584-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
8-METHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL
A,B2B1V0.7
4MU7-hydroxy-4-methyl-2H-chromen-2-
one
A,B3ETS0.75
2LP2-ALLYLPHENOLA1OV50.7
ANN4-METHOXYBENZOIC ACIDA2B960.71
ANN4-METHOXYBENZOIC ACIDA2QUE0.71
ANN4-METHOXYBENZOIC ACIDA1SV30.71
ANN4-METHOXYBENZOIC ACIDA1O2E0.71
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.71
FPN4-FLUOROPHENOLA,B1XVD0.74
BOP1-BROMO-4-METHOXYBENZENEC,F1RHQ0.73
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
LJ42,6-dibromo-4-phenoxyphenolA,B3CN30.72
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.73
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
FFP2,6-DIFLUOROPHENOLA2INX0.72