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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00005979

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.71
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.71
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA1NY00.71
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA,B1YMS0.71
32P3-{2-[(5-AMINOPENTYL)AMINO]-2-OXOETHOXY}-
5-({[1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)PHENYL PHENYLMETHANESULFONATE
A1TQF0.7
VXXVANILLATEA,B1WB60.72
DB12,3-DIHYDROXYBENZAMIDEA,B,C1X710.74
QSO5,7-dihydroxy-3-(4-methoxyphenyl)-
4H-chromen-4-one
A,B2QYO0.71
ANN4-METHOXYBENZOIC ACIDA2B960.75
ANN4-METHOXYBENZOIC ACIDA2QUE0.75
ANN4-METHOXYBENZOIC ACIDA1SV30.75
ANN4-METHOXYBENZOIC ACIDA1O2E0.75
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.75
SXXSINAPINATEA,B1WB40.7
D3P(2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.72
D3P(2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.72
SHASALICYLHYDROXAMIC ACIDX1V0H0.72
SHASALICYLHYDROXAMIC ACIDA2QPK0.72
SHASALICYLHYDROXAMIC ACIDA3FNL0.72
SHASALICYLHYDROXAMIC ACIDA3GCJ0.72
SHASALICYLHYDROXAMIC ACIDA1CK60.72
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.7
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.7
HMO4'-HYDROXY-7-METHOXYISOFLAVONEA1FP20.71
IC13-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-
INDOLIN-2-ONE
A,B1EH40.72
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one
A2ZBH0.71
4MP1-(4-METHOXYBENZOYL)-2-PYRROLIDINONEA,B2AL50.76
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.71
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.81
34D3,5-DIHYDROXYBENZOATEA,B2BX70.71
14AN-ALLYL-5-AMIDINOAMINOOXY-PROPYLOXY-
3-CHLORO-N-CYCLOPENTYLBENZAMIDE
H,I1T4V0.7
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.75
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.71
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.71
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.74
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.74
AI73-(heptyloxy)benzoic acidA,B2O3Z0.73
3MB3-METHOXYBENZAMIDEA3PAX0.93
F6F2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATEA,B2CLM0.7
F6F2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATEA,B2CLF0.7
F6F2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATEA,B2CLE0.7
3XH3-Hydroxyhippuric acidA3E9K0.71
BEK2,3,5,6-TETRAFLUORO-4-METHOXY-BENZAMIDEA1KJR0.77
SYRSYRINGATEA,B1WB50.75
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.7
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.7
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.7
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.7
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.7
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.7
AI1N-BENZYL-3-(ALPHA-D-GALACTOS-1-
YL)-BENZAMIDE
D,E,F,G,H,L,
M,N,O,P
1FD70.73
GENGENISTEINA1QKM0.7
GENGENISTEINA,B1X7J0.7
GENGENISTEINA,B2QA80.7
GENGENISTEINA1X7R0.7
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.72
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid
A,B2RJS0.7
F1IN-[1-(2,6-dimethoxybenzyl)piperidin-
4-yl]-4-sulfanylbutanamide
A2ZJI0.7
TMSN-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-
PHENYL)-VINYL]-BENZAMIDE
A,B1X6W0.77