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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00528750

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DOA12-AMINO-DODECANOIC ACIDB1EOJ0.75
DOA12-AMINO-DODECANOIC ACIDA,D1H8T0.75
DOA12-AMINO-DODECANOIC ACIDA2DCX0.75
DOA12-AMINO-DODECANOIC ACIDB1EOL0.75
P1LS-PALMITOYL-L-CYSTEINEA2J3T0.77
P1LS-PALMITOYL-L-CYSTEINED,E2J3W0.77
P1LS-PALMITOYL-L-CYSTEINEA,B,C,D2CFH0.77
P1LS-PALMITOYL-L-CYSTEINEA2C0J0.77
P1LS-PALMITOYL-L-CYSTEINEA,B2J3R0.77
SHCS-HEXYLCYSTEINEI,J1GSS0.7
SHMHOMOBIOTINA,B1LDQ0.77
SHMHOMOBIOTINA,B1LCW0.77
API2,6-DIAMINOPIMELIC ACIDA,B1E8C0.72
API2,6-DIAMINOPIMELIC ACIDA2DAP0.72
API2,6-DIAMINOPIMELIC ACIDE,S148L0.72
6CL6-CARBOXYLYSINEU2AIZ0.72
NPI2-AMINOPIMELIC ACIDA2TDT0.7
NPI2-AMINOPIMELIC ACIDA1KGQ0.7
BSOBIOTIN-D-SULFOXIDEA,B2C1S0.73
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
BH7E-AMINO BIOTINYL CAPROIC ACIDA,B1LCZ0.72
BH7E-AMINO BIOTINYL CAPROIC ACIDA,B1LEL0.72
PDJ(2R)-3-{[(2R)-2-AMINO-3-HYDROXYPROPYL]THIO}PROPANE-
1,2-DIYL DIHEXADECANOATE
A2Z820.72
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B1QJ30.74
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B,C,D3FMI0.74
KAP7-KETO-8-AMINOPELARGONIC ACIDA,B3DU40.74
BTNBIOTINA2IZJ0.77
BTNBIOTINA2EJ90.77
BTNBIOTINA,B2EJG0.77
BTNBIOTINA,B2GH70.77
BTNBIOTINA,B,C,D1SWK0.77
BTNBIOTINA,B,Y,Z3D9L0.77
BTNBIOTINX,Y1Y550.77
BTNBIOTINA,B,C,D2JGS0.77
BTNBIOTINA,B1F270.77
BTNBIOTINA,B,C,D,E,F,
G,H
1WBI0.77
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
1VQN0.77
BTNBIOTINA,B1HXD0.77
BTNBIOTINB,D2RTF0.77
BTNBIOTINA,B2ZSC0.77
BTNBIOTINA1BDO0.77
BTNBIOTINA,B2FYK0.77
BTNBIOTINA,B,C,D1SWG0.77
BTNBIOTINA,B2ZGW0.77
BTNBIOTINA,B,C,D1N430.77
BTNBIOTINB,D2RTG0.77
BTNBIOTINA,B1DF80.77
BTNBIOTINA,B3G8C0.77
BTNBIOTINA,B1WPY0.77
BTNBIOTINA,D2UYW0.77
BTNBIOTINA,B,C,D1SWE0.77
BTNBIOTINB,D2RTD0.77
BTNBIOTIN0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.77
BTNBIOTINA,B1LUQ0.77
BTNBIOTINA,B2AVI0.77
BTNBIOTINA,B1AVD0.77
BTNBIOTINA,B1MK50.77
BTNBIOTINA,B2DTH0.77
BTNBIOTINA,B,C,D,E,F,G3EW20.77
BTNBIOTINB,D2IZG0.77
BTNBIOTINA,D1SWD0.77
BTNBIOTIN0,1,3,4,5,9,
A,B,C,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z
1VQ60.77
BTNBIOTINA2C1Q0.77
BTNBIOTINA2C4I0.77
BTNBIOTINA2IZI0.77
BTNBIOTINB,D2RTE0.77
BTNBIOTINA,B2DTO0.77
BTNBIOTINA,B1XNY0.77
BTNBIOTINA,B2DXT0.77
BTNBIOTINA,B2F010.77
BTNBIOTINA,B,C,D1NQM0.77
BTNBIOTINX,Y1Y520.77
BTNBIOTINA1BIB0.77
BTNBIOTINA,B,C,D1SWP0.77
BTNBIOTINB,D2IZF0.77
BTNBIOTINA,B,C,D1SWR0.77
BTNBIOTINA2BDO0.77
BTNBIOTINB,D2IZH0.77
BTNBIOTINA,B,C,D1N9M0.77
BTNBIOTINA,B,C,D1NDJ0.77
BTNBIOTINA,D2UZ20.77
BTNBIOTINA2B8G0.77
BTNBIOTINA1STP0.77
BTNBIOTINA,C,D1SWN0.77
BTNBIOTINA,B,C2EJF0.77
BTNBIOTINA,B1SWT0.77
BTNBIOTINA,B,C,D1MEP0.77
IMI2-IMINOBIOTINB,D2RTO0.75
IMI2-IMINOBIOTINB,D2IZL0.75
IMI2-IMINOBIOTINB,D2RTQ0.75
IMI2-IMINOBIOTINB,D2RTR0.75
IMI2-IMINOBIOTINA2RTM0.75
IMI2-IMINOBIOTINB,D2RTN0.75
IMI2-IMINOBIOTINB,D2RTP0.75
IMI2-IMINOBIOTINA1NC90.75
IMI2-IMINOBIOTINA2RTL0.75
CYG2-AMINO-4-(AMINO-3-OXO-PROPYLSULFANYLCARBONYL)-
BUTYRIC ACID
A1T3T0.73
CYG2-AMINO-4-(AMINO-3-OXO-PROPYLSULFANYLCARBONYL)-
BUTYRIC ACID
A,B,C,D,E,F,
G,H
1A9X0.73
CYG2-AMINO-4-(AMINO-3-OXO-PROPYLSULFANYLCARBONYL)-
BUTYRIC ACID
A,D,E,H,I,L3D540.73
CYG2-AMINO-4-(AMINO-3-OXO-PROPYLSULFANYLCARBONYL)-
BUTYRIC ACID
A,B,C,D,E,F,
G,H
1CS00.73
DNN7,8-DIAMINO-NONANOIC ACIDA1DAH0.81
DNN7,8-DIAMINO-NONANOIC ACIDA1A820.81
C1X(Z)-N~6~-[(4R,5S)-5-(2-CARBOXYETHYL)-
4-(CARBOXYMETHYL)DIHYDRO-2H-THIOPYRAN-
3(4H)-YLIDENE]-L-LYSINE
A,B2C190.7
CBHS-(D-CARBOXYBUTYL)-L-HOMOCYSTEINEA,B1LT80.75
AHP2-AMINO-HEPTANOIC ACIDD1J4X0.7
HHK(2S)-2,8-DIAMINOOCTANOIC ACIDA1XY80.78
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA3C3G0.75
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C2OXJ0.75
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C,D3C3F0.75
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C3HEZ0.75
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA2OXK0.75
GT9S-NONYL-CYSTEINEA,B,C,D12GS0.73
BTQEPI-BIOTINA,B,C,D1SWP0.77
BTQEPI-BIOTINA,B,C,D1SWK0.77
BTQEPI-BIOTINA,B2F010.77
BTQEPI-BIOTINA,B2GH70.77
OSS6-(HYDROXYETHYLDITHIO)-8-(AMINOMETHYLTHIO)OCTANOIC ACIDA1HTP0.74
CYD2-AMINO-6-(CYSTEIN-S-YL)-5-OXO-
HEXANOIC ACID
A2V4U0.77
CYD2-AMINO-6-(CYSTEIN-S-YL)-5-OXO-
HEXANOIC ACID
A,B1OX40.77
SNRNORBIOTINA,B1LCV0.76
SNRNORBIOTINA,B1LDO0.76