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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00468613

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FONFOLINIC ACIDA,B1QD10.7
FONFOLINIC ACIDA,B2BLN0.7
FONFOLINIC ACIDA,B,C,D1VRQ0.7
FONFOLINIC ACIDA,B1KL20.7
FONFOLINIC ACIDA,B1XZQ0.7
FG1N-[4-(2-{2-[3-(2-BROMO-ACETYLAMINO)-
PROPIONYLAMINO]-3-HYDROXY-PROPIONYLAMINO}-
ETHYL)-PHENYL]-OXALAMIC ACID
A1NWE0.75
MY5{1-[(3S)-4-{[(1S)-2-(BENZYLAMINO)-
1-METHYL-2-OXOETHYL]AMINO}-3-HYDROXY-
4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID
I2CNN0.71
LIZN-{(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl}-
N-{(2R)-2-[bis(carboxymethyl)amino]-
3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine
A,B3DSZ0.76
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION
L25C80.72
R99N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-
D-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE
A1EWL0.7
009(4S)-1,4-dibenzyl-N-[(1S,2R)-1-
benzyl-3-{[3-(dimethylamino)benzyl]amino}-
2-hydroxypropyl]-2-oxoimidazolidine-
4-carboxamide
A,B,C3CKR0.73
HBQISOPROPYL (2S)-2-ETHYL-7-FLUORO-
3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-
CARBOXYLATE
A2OPR0.79
HBQISOPROPYL (2S)-2-ETHYL-7-FLUORO-
3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-
CARBOXYLATE
A,B2OPS0.79
HBQISOPROPYL (2S)-2-ETHYL-7-FLUORO-
3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-
CARBOXYLATE
A2OPP0.79
HBQISOPROPYL (2S)-2-ETHYL-7-FLUORO-
3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-
CARBOXYLATE
A2OPQ0.79
2T3(2R,3R)-4-ANILINO-2,3-DIHYDROXY-
4-OXOBUTANOIC ACID
A2P360.71
MITARGATROBANH1DWC0.72
W22[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-
1H-1,4-benzodiazepin-2-yl]acetic acid
A,B2WKW0.71
1C23(S)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-
BUTYL ESTER
A2F6T0.72
EOT[(1-[(BIS-CARBOXYMETHYL-AMINO)-
METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)-
THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL-
AMINO]-ACETIC ACID
H1INE0.77
EOT[(1-[(BIS-CARBOXYMETHYL-AMINO)-
METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)-
THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL-
AMINO]-ACETIC ACID
H1IND0.77
445N-[oxo(phenylamino)acetyl]-beta-
D-glucopyranosylamine
A3CUW0.71
FNR1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-
3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-
1-ID-10(5H)-YL)-5-O-PHOSPHONATO-
D-RIBITOL
A,B,C,D,E,F,
G,H
2ISL0.71
FNR1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-
3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-
1-ID-10(5H)-YL)-5-O-PHOSPHONATO-
D-RIBITOL
A,B,C,D2ZRY0.71
FNR1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-
3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-
1-ID-10(5H)-YL)-5-O-PHOSPHONATO-
D-RIBITOL
A,B,C,D2ZRV0.71
FNR1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-
3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-
1-ID-10(5H)-YL)-5-O-PHOSPHONATO-
D-RIBITOL
A,B,C,D,E,F,
G,H
2ISK0.71
FNR1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-
3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-
1-ID-10(5H)-YL)-5-O-PHOSPHONATO-
D-RIBITOL
A,B,C,D2ZRZ0.71
FNR1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-
3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-
1-ID-10(5H)-YL)-5-O-PHOSPHONATO-
D-RIBITOL
A2FZ50.71
ZLDN-{[(5S)-3-(3-fluoro-4-morpholin-
4-ylphenyl)-2-oxo-1,3-oxazolidin-
5-yl]methyl}acetamide
0,1,2,4,9,A,
B,C,F,H,I,J,
K,L,M,N,P,Q,
R,S,T,X,Y,Z
3CPW0.71
ZLDN-{[(5S)-3-(3-fluoro-4-morpholin-
4-ylphenyl)-2-oxo-1,3-oxazolidin-
5-yl]methyl}acetamide
4,M,X,Y,Z3DLL0.71
26BO-tert-butyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-L-threonine
A,B3DDS0.72
SM1N-(BENZYLSULFONYL)-D-SERYL-N-(4-
{[AMINO(IMINO)METHYL]AMINO}BENZYL)-
L-ALANINAMIDE
U1W130.73
MLN(S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-
P-NITROANILIDE
A1BSK0.72
MLN(S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-
P-NITROANILIDE
A1BSJ0.72
DOE(S)-2-(4-(2-(2-HYDROXYETHYLTHIO)-
ACETAMIDO)-BENZYL)-1,4,7,10-TETRAAZACYCLODODECANE-
N,N',N'',N'''-TETRAACETATE
A,B,C,D1NC20.72
RL2N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-
L-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE
A1EWM0.7
BL5A,B1RL40.7
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE
A1SLN0.77
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE
A2SRT0.77
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE
A3BG80.77
NOXN-(PARA-GLUTARAMIDOPHENYL-ETHYL)-
PIPERIDINIUM-N-OXIDE
L35C80.71
MU0(5S)-N-[(1S,2S,4S)-1-BENZYL-2-HYDROXY-
4-{[(2S)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-
1(2H)-YL)BUTANOYL]AMINO}-5-PHENYLPENTYL]-
2-OXO-3-PHENYL-1,3-OXAZOLIDINE-
5-CARBOXAMIDE
A,B2Q550.76
MX5{1-[4-(3,4-DIHYDROQUINOLIN-1(2H)-
YL)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID
B,I2C2Z0.72
VG5N-[(1S,2R)-1-benzyl-3-{[(1S)-2-
(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-
2-hydroxypropyl]-3-(ethylamino)-
5-(2-oxo-2,3-dihydro-1H-pyrrol-
1-yl)benzamide
A2VJ60.7
BA4[[(3R,4R,5S,6R)-3-(butanoylamino)-
4,5-dihydroxy-6-(hydroxymethyl)oxan-
2-ylidene]amino] N-phenylcarbamate
A3GS60.71
GIPS-(N-HYDROXY-N-IODOPHENYLCARBAMOYL)GLUTATHIONEA,B1QIN0.7
C47METHYL (3R)-1-[(5S,6S,8R)-5-AMINO-
9-BUTYLAMINO-6-HYDROXY-3,3,8-TRIMETHYL-
9-OXO-NONANOYL]-3,4-DIHYDRO-2H-
QUINOLINE-3-CARBOXYLATE
C,O2V160.75
SC52-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-
1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-
1,1-DIOL
H1YNK0.71
HAZ4-{4-[2-(1A,7A-DIMETHYL-4-OXY-OCTAHYDRO-
1-OXA-4-AZA-CYCLOPROPA[A]NAPHTHALEN-
4-YL) -ACETYLAMINO]-PHENYLCARBAMOYL}-
BUTYRIC ACID
H,L1CF80.71
D5G(2S)-4-METHYL-2-(3-PHENYLTHIOUREIDO)-
N-((3S)-TETRAHYDRO-2-HYDROXY-3-
FURANYL)PENTANAMIDE
A2G8E0.78
ENT3(R)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-
BUTYL ESTER
A2F6Y0.72
VPU[[(3R,4R,5S,6R)-4,5-dihydroxy-6-
(hydroxymethyl)-3-(pentanoylamino)oxan-
2-ylidene]amino] N-phenylcarbamate
A3GSM0.72