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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03246455

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AFJ(2R,4S,5S)-N-butyl-4-hydroxy-2,7-
dimethyl-5-{[N-(4-methylpentanoyl)-
L-methionyl]amino}octanamide
A,B,C3DUY0.7
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B2J9P0.7
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B,C,D2VGK0.7
HT5(4S)-4-(decanoylamino)-5-hydroxy-
3,4-dihydro-2H-thiophenium
A,B,C,D2VC70.7
CCLN~6~-[(CYCLOPENTYLOXY)CARBONYL]-
D-LYSINE
A2Q7G0.71
PDJ(2R)-3-{[(2R)-2-AMINO-3-HYDROXYPROPYL]THIO}PROPANE-
1,2-DIYL DIHEXADECANOATE
A2Z820.74
BSOBIOTIN-D-SULFOXIDEA,B2C1S0.77
MUDN-{[(1R)-1-carboxy-2-(methylsulfanyl)ethyl]carbamoyl}-
L-glutamic acid
A3D7G0.72
LA2N~6~-[(6R)-6,8-disulfanyloctanoyl]-
L-lysine
A,B,C,D3CRK0.72
LA2N~6~-[(6R)-6,8-disulfanyloctanoyl]-
L-lysine
A,B,C,D3CRL0.72
V10N^6^-[(1R)-2-[(1R)-1-carboxy-2-
(methylsulfanyl)ethoxy]-2-oxo-1-
(sulfanylmethyl)ethyl]-6-oxo-L-
lysine
A2VBD0.72
BTQEPI-BIOTINA,B,C,D1SWP0.79
BTQEPI-BIOTINA,B,C,D1SWK0.79
BTQEPI-BIOTINA,B2F010.79
BTQEPI-BIOTINA,B2GH70.79
SNRNORBIOTINA,B1LCV0.78
SNRNORBIOTINA,B1LDO0.78
ACCN-[N-[2-AMINO-6-OXO-HEXANOIC ACID-
6-YL]CYSTEINYL]-S-METHYLCYSTEINE
A1QIQ0.71
V20N6^-[(1R)-2-[(1S)-1-CARBOXY-2-(METHYLSULFANYL)ETHOXY]-
2-OXO-1-(SULFANYLMETHYL)ETHYL]-
6-OXO-L-LYSINE
A2VAU0.72
SHMHOMOBIOTINA,B1LDQ0.79
SHMHOMOBIOTINA,B1LCW0.79
HAG4-S-GLUTATHIONYL-5-PENTYL-TETRAHYDRO-
FURAN-2-OL
A,B1B480.74
PCJ(2R)-3-{[(2S)-3-HYDROXY-2-(PALMITOYLAMINO)PROPYL]THIO}PROPANE-
1,2-DIYL DIHEXADECANOATE
A,N2Z810.84
PCJ(2R)-3-{[(2S)-3-HYDROXY-2-(PALMITOYLAMINO)PROPYL]THIO}PROPANE-
1,2-DIYL DIHEXADECANOATE
A,B,C2Z7X0.84
EPMN-PALMITOYL-L-METHIONINEA,B1ZO90.73
IMI2-IMINOBIOTINB,D2RTO0.71
IMI2-IMINOBIOTINB,D2IZL0.71
IMI2-IMINOBIOTINB,D2RTQ0.71
IMI2-IMINOBIOTINB,D2RTR0.71
IMI2-IMINOBIOTINA2RTM0.71
IMI2-IMINOBIOTINB,D2RTN0.71
IMI2-IMINOBIOTINB,D2RTP0.71
IMI2-IMINOBIOTINA1NC90.71
IMI2-IMINOBIOTINA2RTL0.71
LASN-acetyl-S-({(2R,3S,4R)-3-hydroxy-
2-[(1S)-1-hydroxy-2-methylpropyl]-
4-methyl-5-oxopyrrolidin-2-yl}carbonyl)cysteine
A,B3DPM0.72
BTNBIOTINA2IZJ0.79
BTNBIOTINA2EJ90.79
BTNBIOTINA,B2EJG0.79
BTNBIOTINA,B2GH70.79
BTNBIOTINA,B,C,D1SWK0.79
BTNBIOTINA,B,Y,Z3D9L0.79
BTNBIOTINX,Y1Y550.79
BTNBIOTINA,B,C,D2JGS0.79
BTNBIOTINA,B1F270.79
BTNBIOTINA,B,C,D,E,F,
G,H
1WBI0.79
BTNBIOTIN0,1,2,3,4,5,
9,A,B,C,D,F,
H,J,K,L,M,N,
O,Q,R,S,T,U,
Y,Z
1VQN0.79
BTNBIOTINA,B1HXD0.79
BTNBIOTINB,D2RTF0.79
BTNBIOTINA,B2ZSC0.79
BTNBIOTINA1BDO0.79
BTNBIOTINA,B2FYK0.79
BTNBIOTINA,B,C,D1SWG0.79
BTNBIOTINA,B2ZGW0.79
BTNBIOTINA,B,C,D1N430.79
BTNBIOTINB,D2RTG0.79
BTNBIOTINA,B1DF80.79
BTNBIOTINA,B3G8C0.79
BTNBIOTINA,B1WPY0.79
BTNBIOTINA,D2UYW0.79
BTNBIOTINA,B,C,D1SWE0.79
BTNBIOTINB,D2RTD0.79
BTNBIOTIN0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.79
BTNBIOTINA,B1LUQ0.79
BTNBIOTINA,B2AVI0.79
BTNBIOTINA,B1AVD0.79
BTNBIOTINA,B1MK50.79
BTNBIOTINA,B2DTH0.79
BTNBIOTINA,B,C,D,E,F,G3EW20.79
BTNBIOTINB,D2IZG0.79
BTNBIOTINA,D1SWD0.79
BTNBIOTIN0,1,3,4,5,9,
A,B,C,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z
1VQ60.79
BTNBIOTINA2C1Q0.79
BTNBIOTINA2C4I0.79
BTNBIOTINA2IZI0.79
BTNBIOTINB,D2RTE0.79
BTNBIOTINA,B2DTO0.79
BTNBIOTINA,B1XNY0.79
BTNBIOTINA,B2DXT0.79
BTNBIOTINA,B2F010.79
BTNBIOTINA,B,C,D1NQM0.79
BTNBIOTINX,Y1Y520.79
BTNBIOTINA1BIB0.79
BTNBIOTINA,B,C,D1SWP0.79
BTNBIOTINB,D2IZF0.79
BTNBIOTINA,B,C,D1SWR0.79
BTNBIOTINA2BDO0.79
BTNBIOTINB,D2IZH0.79
BTNBIOTINA,B,C,D1N9M0.79
BTNBIOTINA,B,C,D1NDJ0.79
BTNBIOTINA,D2UZ20.79
BTNBIOTINA2B8G0.79
BTNBIOTINA1STP0.79
BTNBIOTINA,C,D1SWN0.79
BTNBIOTINA,B,C2EJF0.79
BTNBIOTINA,B1SWT0.79
BTNBIOTINA,B,C,D1MEP0.79
BH7E-AMINO BIOTINYL CAPROIC ACIDA,B1LCZ0.76
BH7E-AMINO BIOTINYL CAPROIC ACIDA,B1LEL0.76
HJ3(2R,4S)-2-[(1R)-1-{[(6S)-6-amino-
6-carboxyhexanoyl]amino}-2-oxoethyl]-
5,5-dimethyl-1,3-thiazolidine-4-
carboxylic acid
A3BEB0.77
DTB6-(5-METHYL-2-OXO-IMIDAZOLIDIN-
4-YL)-HEXANOIC ACID
A,B1R300.74
DTB6-(5-METHYL-2-OXO-IMIDAZOLIDIN-
4-YL)-HEXANOIC ACID
A1DAM0.74
DTB6-(5-METHYL-2-OXO-IMIDAZOLIDIN-
4-YL)-HEXANOIC ACID
A,B,C,D3FPA0.74