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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00808736

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.7
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA1NY00.71
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA,B1YMS0.71
TL12,5-BIS-O-{3-[AMINO(IMINO)METHYL]PHENYL}-
1,4:3,6-DIANHYDRO-D-GLUCITOL
T1Y590.71
MAXMATAIRESINOLA2BGM0.71
VXXVANILLATEA,B1WB60.7
E201-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-
2-YL)METHYL]PIPERIDINE
A1EVE0.75
TL32,5-BIS-O-{4-[AMINO(IMINO)METHYL]PHENYL}-
1,4:3,6-DIANHYDRO-D-GLUCITOL
T1Y5B0.7
3MB3-METHOXYBENZAMIDEA3PAX0.76
BX3(+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-
3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID
A1MTV0.71
BX3(+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-
3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID
A1MTU0.71
BX3(+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]-
3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID
A1MTS0.71
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEB102D0.74
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEA1PRP0.74
TL22-O-{4-[AMINO(IMINO)METHYL]PHENYL}-
5-O-{3-[AMINO(IMINO)METHYL]PHENYL}-
1,4:3,6-DIANHYDRO-D-GLUCITOL
T1Y5A0.72
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.7
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.7
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.72
IKRmethyl (2E)-{2-[(4-iodo-2,5-dimethylphenoxy)methyl]phenyl}(methoxyimino)ethanoateA,C,D,E,N,P,
Q,R
3H1K0.74
BGF2,5-BIS(4-GUANYLPHENYL)FURANA227D0.78
DID4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDEA,B,C,D1RPW0.74
FIL(1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O-
(AMINOCARBONYL)OXIME
A,B1XLZ0.73
Y124-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-
1-EN-1-YL}-1,2-PHENYLENE DIACETATE
A2EW50.72
401(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-
4-methoxybenzyl}butanoic acid
A,B2ZNQ0.7
PET1,5-DI(4-AMIDINOPHENOXY)-3-OXA-
PENTANE
B166D0.76
1676-CARBAMIMIDOYL-2-[2-HYDROXY-5-
(3-METHOXY-PHENYL)-INDAN-1-YL]-
HEXANOIC ACID
B,I1QJ60.74
BPF2,5-BIS{[4-(N-ETHYLAMIDINO)]PHENYL}FURANA,B360D0.75
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid
A,B,C,D2VD00.73
TL42-O-{3-[AMINO(IMINO)METHYL]PHENYL}-
5-O-{4-[AMINO(IMINO)METHYL]PHENYL}-
1,4:3,6-DIANHYDRO-D-GLUCITOL
T1Y5U0.72
K05(E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN-
1-YL)METHYLENE]BENZOHYDRAZIDE
A,B2I5J0.75
MGImethyl 4-(2,3-dihydroxy-5-methylphenoxy)-
2-hydroxy-6-methylbenzoate
A2ZA00.7
HWGN-(TERT-BUTYL)-3,5-DIMETHYL-N'-
[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-
6-YL)CARBONYL]BENZOHYDRAZIDE
A,D1R200.75
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR40.73
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEB1D640.73
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR50.73
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEA,B,D,E1RKW0.73
TMSN-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-
PHENYL)-VINYL]-BENZAMIDE
A,B1X6W0.72