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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00007151

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
FPN4-FLUOROPHENOLA,B1XVD0.76
S24S-(2,4-dihydroxyphenyl) hydrogen thiocarbonateA2OSF0.72
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.7
IPHPHENOLA,B2OLD0.78
IPHPHENOLA,B,C,D2PZV0.78
IPHPHENOLA1LI20.78
IPHPHENOLA2J9N0.78
IPHPHENOLA,B,C,D2OMB0.78
IPHPHENOLA1JHX0.78
IPHPHENOLA,B,C,D2VE70.78
IPHPHENOLB,D,E,G,H,J,L1AI00.78
IPHPHENOLA,B,C,D1FOH0.78
IPHPHENOLA1V030.78
IPHPHENOLA,C,E,G,I,K5AIY0.78
IPHPHENOLB,D,F,H,J,L1AIY0.78
IPHPHENOLA,B1XU50.78
IPHPHENOLA,B,C,D,E,G,
I,K		1W8P0.78
IPHPHENOLA,C,E,G,I,K4AIY0.78
IPHPHENOLA,B,C,D,E,F,
G,H		1XDA0.78
IPHPHENOLA2AS30.78
IPHPHENOLA,B,C,D1ZEG0.78
IPHPHENOLA,B,C,D1PN00.78
IPHPHENOLA,B,C,D1XW70.78
IPHPHENOLA,C,E,G,I,K,M1QIY0.78
IPHPHENOLA,B,C,D1Q4V0.78
IPHPHENOLB1AI70.78
IPHPHENOLA1FJW0.78
IPHPHENOLB,C,D1RWE0.78
IPHPHENOLA,B,C,D,E,G,
H,I,K		1ZNJ0.78
IPHPHENOLB,C,D3GKY0.78
IPHPHENOLA1JHY0.78
IPHPHENOLA,C,E,G,I,K3AIY0.78
IPHPHENOLA,B2OMN0.78
IPHPHENOLA,C,E,G,I,K2AIY0.78
IPHPHENOLA,B,D1MPJ0.78
IPHPHENOLA,B,C,D,F,G,
H,J		1WAV0.78
IPHPHENOLB,C,D1LPH0.78
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
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL		C,F1KYW0.78
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.71
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE		C1A8G0.76
IOL4-IODOPHENOLA,B1EWA0.76
EPTHEPTANYL-P-PHENOLA,B1AHZ0.7
PYGBENZENE-1,2,3-TRIOLA,B,C,D,E,F,
G,H,I,J,K,L		1TI40.82
PYGBENZENE-1,2,3-TRIOLM,N,O,P,Q,R,
S,T,U,V,W,X		1VLE0.82
WST(3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-
1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-
9-OL		A,B2POG0.72
TH04-MERCAPTOBENZENE-1,3-DIOLA2OSF0.77
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE		A1HQD0.72
MSB1-METHYLOXY-4-SULFONE-BENZENEA1EUB0.76
MSB1-METHYLOXY-4-SULFONE-BENZENEA1BM60.76
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID		A2IMF0.71
4HM4-HYDROPEROXY-2-METHOXY-PHENOLA1HU90.89
GMN2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-
TRIETHYLETHANAMINIUM]		A,B1N5M0.73
HTS2-MERCAPTOPHENOLA2OSM0.71
PITPICEATANNOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N		2JJ10.71
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.72
CAQCATECHOLB2BUY0.75
CAQCATECHOLA1KND0.75
CAQCATECHOLB2BUQ0.75
CAQCATECHOLA,B1DLT0.75
CAQCATECHOLA1XEP0.75
CAQCATECHOLA2PUM0.75
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid		A3CBG0.7
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
3FA3-FLUOROBENZENE-1,2-DIOLA2AS40.73
ETY4-ethylphenolA,B,C,D2RA60.72
2682-phenoxyethanolA2RBR0.79
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
3CH3-CHLOROPHENOLA1LI30.7
FP22-fluorophenolA3CPO0.76
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
FFP2,6-DIFLUOROPHENOLA2INX0.74
2BR2-BROMOPHENOLA,B,C,D2A9W0.7
4584-[(1S,2S,5S)-5-(HYDROXYMETHYL)-
8-METHYL-3-OXABICYCLO[3.3.1]NON-
7-EN-2-YL]PHENOL		A,B2B1V0.7
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,E1EZV0.71
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,E1P840.71
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,E2IBZ0.71
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,E1KB90.71
PCRP-CRESOLA1JHV0.74
PCRP-CRESOLA1JHU0.74
PCRP-CRESOLA,B,C,D1DIQ0.74
4MU7-hydroxy-4-methyl-2H-chromen-2-
one		A,B3ETS0.75
2LP2-ALLYLPHENOLA1OV50.7
BML4-BROMOPHENOLA,B,E3DHH0.7
BML4-BROMOPHENOLA,B1XU30.7
BML4-BROMOPHENOLA,B1T0S0.7
ANN4-METHOXYBENZOIC ACIDA2B960.71
ANN4-METHOXYBENZOIC ACIDA2QUE0.71
ANN4-METHOXYBENZOIC ACIDA1SV30.71
ANN4-METHOXYBENZOIC ACIDA1O2E0.71
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.71
BOP1-BROMO-4-METHOXYBENZENEC,F1RHQ0.75
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
RCORESORCINOLA,B,C,E,F,G,
H,I,J,K		2OLY0.86
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,T,U,X,Y		2OM10.86
RCORESORCINOLA,B,C,E,G,H,
I,K		2OLZ0.86
RCORESORCINOLA,B,C,D,E,F2OMH0.86
RCORESORCINOLA,B,C,E,G,H,
I,J,K		2OMI0.86
RCORESORCINOLA,B,C,D,E,G,
I,J,K		1EVR0.86
RCORESORCINOLA,C,E,G,I,K,M1QIZ0.86
RCORESORCINOL1,3,A,B,C,D,
E,G,H,I,K,Q,
R,S,U,X,Y		2OM00.86
LJ42,6-dibromo-4-phenoxyphenolA,B3CN30.72
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.73