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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00288633

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE
A3UPJ0.7
LK2N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL]-
D-GLUTAMIC ACID
A2JFF0.7
IHB3-IODO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCI0.73
SYRSYRINGATEA,B1WB50.76
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.73
SXXSINAPINATEA,B1WB40.7
FHB3-FLUORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCF0.73
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOD0.72
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOE0.72
DOB2,4-DIHYDROXYBENZOIC ACIDA1PBB0.72
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.7
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.78
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.78
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.73
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.72
FRR(3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-
14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO-
1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)-
DIONE
A2E140.73
LK3N-{[6-(PENTYLOXY)NAPHTHALEN-2-YL]SULFONYL}-
D-GLUTAMIC ACID
A2UUO0.7
WRR4-HYDROXY-3-[(1S,3R)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE
A1H9Z0.7
ANN4-METHOXYBENZOIC ACIDA2B960.86
ANN4-METHOXYBENZOIC ACIDA2QUE0.86
ANN4-METHOXYBENZOIC ACIDA1SV30.86
ANN4-METHOXYBENZOIC ACIDA1O2E0.86
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.86
AI73-(heptyloxy)benzoic acidA,B2O3Z0.76
886N-({4'-[(4-isobutyrylphenoxy)methyl]biphenyl-
4-yl}sulfonyl)-D-valine
A,B,C,D2RJP0.76
TBLN-[(4-methoxyphenyl)sulfonyl]-D-
alanine
A3EHY0.71
WRS4-HYDROXY-3-[(1S,3S)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE
A1HA20.7
AC6P-HYDROXYACETOPHENONEA2GQ80.72
AC6P-HYDROXYACETOPHENONEX2O480.72
VXXVANILLATEA,B1WB60.79
1592-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)-
BENZOIC ACID
A,B1NME0.75
PHBP-HYDROXYBENZOIC ACIDA1CJ40.75
PHBP-HYDROXYBENZOIC ACIDA1DOB0.75
PHBP-HYDROXYBENZOIC ACIDA1PXB0.75
PHBP-HYDROXYBENZOIC ACIDA,B1G1B0.75
PHBP-HYDROXYBENZOIC ACIDA,B1YKJ0.75
PHBP-HYDROXYBENZOIC ACIDA1IUV0.75
PHBP-HYDROXYBENZOIC ACIDA1PBE0.75
PHBP-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCC0.75
PHBP-HYDROXYBENZOIC ACIDA1PDH0.75
PHBP-HYDROXYBENZOIC ACIDB2BUW0.75
PHBP-HYDROXYBENZOIC ACIDA1CC40.75
PHBP-HYDROXYBENZOIC ACIDA1CC60.75
PHBP-HYDROXYBENZOIC ACIDA1IUW0.75
PHBP-HYDROXYBENZOIC ACIDA1FW90.75
PHBP-HYDROXYBENZOIC ACIDA1G810.75
PHBP-HYDROXYBENZOIC ACIDA1BGJ0.75
PHBP-HYDROXYBENZOIC ACIDA1IUX0.75
PHBP-HYDROXYBENZOIC ACIDA1CJ30.75
PHBP-HYDROXYBENZOIC ACIDA1D7L0.75
PHBP-HYDROXYBENZOIC ACIDA2PHH0.75
PHBP-HYDROXYBENZOIC ACIDA1BGN0.75
PHBP-HYDROXYBENZOIC ACIDA1PXA0.75
PHBP-HYDROXYBENZOIC ACIDA1DOC0.75
PHBP-HYDROXYBENZOIC ACIDA1K0I0.75
PHBP-HYDROXYBENZOIC ACIDA1BKW0.75
PHBP-HYDROXYBENZOIC ACIDA1JD30.75
PHBP-HYDROXYBENZOIC ACIDA1PXC0.75
PHBP-HYDROXYBENZOIC ACIDA1TT80.75
PHBP-HYDROXYBENZOIC ACIDA1CJ20.75
PHBP-HYDROXYBENZOIC ACIDA,B1Q4S0.75
PHBP-HYDROXYBENZOIC ACIDA1BF30.75
PHBP-HYDROXYBENZOIC ACIDB2BUR0.75
AGI5,7-dihydroxy-2-(4-hydroxyphenyl)-
4H-chromen-4-one
A,B,C,D,E,F3CF90.7
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.7
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one
A,B2QYO0.72
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA,B1I7I0.71
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA1I7G0.71
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one
A2ZBH0.74
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE
A,B1JEP0.7
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.7
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.75
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.75
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.75
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.75
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.75
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.75
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
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
B,C1JX10.7
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1JX00.7
DFV7-HYDROXY-2-(4-HYDROXY-PHENYL)-
CHROMAN-4-ONE
A,B1FM70.7
DHB3,4-DIHYDROXYBENZOIC ACIDB2BV00.71
DHB3,4-DIHYDROXYBENZOIC ACIDA,B,D,F,H,J,L1YKP0.71
DHB3,4-DIHYDROXYBENZOIC ACIDA1N8Q0.71
DHB3,4-DIHYDROXYBENZOIC ACIDA,B2BSL0.71
DHB3,4-DIHYDROXYBENZOIC ACIDB,D,F,H,J,L1YKL0.71
DHB3,4-DIHYDROXYBENZOIC ACIDB,D1B4U0.71
DHB3,4-DIHYDROXYBENZOIC ACIDA3DX50.71
DHB3,4-DIHYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCA0.71
DHB3,4-DIHYDROXYBENZOIC ACIDB,D,F,H,J,L1YKN0.71
DHB3,4-DIHYDROXYBENZOIC ACIDB1EOB0.71
DHB3,4-DIHYDROXYBENZOIC ACIDA1PHH0.71
DHB3,4-DIHYDROXYBENZOIC ACIDB2BUV0.71
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.73
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.73
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.82
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.82
GENGENISTEINA1QKM0.72
GENGENISTEINA,B1X7J0.72
GENGENISTEINA,B2QA80.72
GENGENISTEINA1X7R0.72
LK1N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL]-
L-GLUTAMIC ACID
A2JFH0.7
MBSA,B1HY70.72
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.72
6676-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN-
3-O-SULFAMATE
A1TTM0.71
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B1KDG0.72
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B,C,D1O9L0.72