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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00333225

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE
A1IKI0.74
BTQEPI-BIOTINA,B,C,D1SWP0.82
BTQEPI-BIOTINA,B,C,D1SWK0.82
BTQEPI-BIOTINA,B2F010.82
BTQEPI-BIOTINA,B2GH70.82
DAA8-AMINO-7-CARBOXYAMINO-NONANOIC ACID WITH ALUMINUM FLUORIDEA1BS10.8
HEL(2S,5R,6R)-6-{[(6R)-6-(GLYCYLAMINO)-
7-OXIDO-7-OXOHEPTANOYL]AMINO}-3,3-
DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLATE
A1PWG0.71
HEL(2S,5R,6R)-6-{[(6R)-6-(GLYCYLAMINO)-
7-OXIDO-7-OXOHEPTANOYL]AMINO}-3,3-
DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLATE
A1PW10.71
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W050.73
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W060.73
LA2N~6~-[(6R)-6,8-disulfanyloctanoyl]-
L-lysine
A,B,C,D3CRK0.75
LA2N~6~-[(6R)-6,8-disulfanyloctanoyl]-
L-lysine
A,B,C,D3CRL0.75
VB1N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-
2-oxo-1-(sulfanylmethyl)ethyl]-
6-oxo-L-lysine
A2VBP0.73
GTYL-GAMMA-GLUTAMYL-S-OCTYL-D-CYSTEINYLGLYCINEA1U880.74
HJ3(2R,4S)-2-[(1R)-1-{[(6S)-6-amino-
6-carboxyhexanoyl]amino}-2-oxoethyl]-
5,5-dimethyl-1,3-thiazolidine-4-
carboxylic acid
A3BEB0.81
IMI2-IMINOBIOTINB,D2RTO0.74
IMI2-IMINOBIOTINB,D2IZL0.74
IMI2-IMINOBIOTINB,D2RTQ0.74
IMI2-IMINOBIOTINB,D2RTR0.74
IMI2-IMINOBIOTINA2RTM0.74
IMI2-IMINOBIOTINB,D2RTN0.74
IMI2-IMINOBIOTINB,D2RTP0.74
IMI2-IMINOBIOTINA1NC90.74
IMI2-IMINOBIOTINA2RTL0.74
ACCN-[N-[2-AMINO-6-OXO-HEXANOIC ACID-
6-YL]CYSTEINYL]-S-METHYLCYSTEINE
A1QIQ0.76
LBYN~6~-(TERT-BUTOXYCARBONYL)-L-LYSINEA2ZIN0.7
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA1DAG0.82
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA1DAF0.82
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA,B,C,D3FMF0.82
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA1DAI0.82
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE
A1W030.72
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE
A1W040.72
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A2BJS0.71
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1QJE0.71
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BK00.71
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BLZ0.71
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B2J9P0.71
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B,C,D2VGK0.71
HT5(4S)-4-(decanoylamino)-5-hydroxy-
3,4-dihydro-2H-thiophenium
A,B,C,D2VC70.71
CCLN~6~-[(CYCLOPENTYLOXY)CARBONYL]-
D-LYSINE
A2Q7G0.7
GTXS-HEXYLGLUTATHIONEA,B1K3Y0.72
GTXS-HEXYLGLUTATHIONEA,B1AGS0.72
GTXS-HEXYLGLUTATHIONEA,B1PN90.72
GTXS-HEXYLGLUTATHIONEA,B1Q4J0.72
GTXS-HEXYLGLUTATHIONEA,B2IMK0.72
GTXS-HEXYLGLUTATHIONEA,B4GSS0.72
GTXS-HEXYLGLUTATHIONEA,B,C1GWC0.72
GTXS-HEXYLGLUTATHIONEA,B,C,D2C3Q0.72
GTXS-HEXYLGLUTATHIONEA,B,C,D1TU80.72
GTXS-HEXYLGLUTATHIONEA,B2GLR0.72
GTXS-HEXYLGLUTATHIONEA,B2OA70.72
GTXS-HEXYLGLUTATHIONEA,C2AAW0.72
GTXS-HEXYLGLUTATHIONEA,B1VF20.72
GTXS-HEXYLGLUTATHIONEA1M9A0.72
GTXS-HEXYLGLUTATHIONEA,B17GS0.72
GTXS-HEXYLGLUTATHIONEA,B1K0A0.72
GTXS-HEXYLGLUTATHIONEA,B2R3X0.72
GTXS-HEXYLGLUTATHIONEA,B1GSU0.72
GTXS-HEXYLGLUTATHIONEA,B2C800.72
GTXS-HEXYLGLUTATHIONEA,B2R6K0.72
GTXS-HEXYLGLUTATHIONEA,B1PGT0.72
GTXS-HEXYLGLUTATHIONEA,B2J9H0.72
GTXS-HEXYLGLUTATHIONEA,B1K3L0.72
GTXS-HEXYLGLUTATHIONEA,B1GNW0.72
GTXS-HEXYLGLUTATHIONEA,B,C,D1BH50.72
GTXS-HEXYLGLUTATHIONEA,B1YDK0.72
GTXS-HEXYLGLUTATHIONEA,B9GSS0.72
IP1ISOPENICILLIN NA1QJE0.71
BTNBIOTINA2IZJ0.82
BTNBIOTINA2EJ90.82
BTNBIOTINA,B2EJG0.82
BTNBIOTINA,B2GH70.82
BTNBIOTINA,B,C,D1SWK0.82
BTNBIOTINA,B,Y,Z3D9L0.82
BTNBIOTINX,Y1Y550.82
BTNBIOTINA,B,C,D2JGS0.82
BTNBIOTINA,B1F270.82
BTNBIOTINA,B,C,D,E,F,
G,H
1WBI0.82
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
1VQN0.82
BTNBIOTINA,B1HXD0.82
BTNBIOTINB,D2RTF0.82
BTNBIOTINA,B2ZSC0.82
BTNBIOTINA1BDO0.82
BTNBIOTINA,B2FYK0.82
BTNBIOTINA,B,C,D1SWG0.82
BTNBIOTINA,B2ZGW0.82
BTNBIOTINA,B,C,D1N430.82
BTNBIOTINB,D2RTG0.82
BTNBIOTINA,B1DF80.82
BTNBIOTINA,B3G8C0.82
BTNBIOTINA,B1WPY0.82
BTNBIOTINA,D2UYW0.82
BTNBIOTINA,B,C,D1SWE0.82
BTNBIOTINB,D2RTD0.82
BTNBIOTIN0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.82
BTNBIOTINA,B1LUQ0.82
BTNBIOTINA,B2AVI0.82
BTNBIOTINA,B1AVD0.82
BTNBIOTINA,B1MK50.82
BTNBIOTINA,B2DTH0.82
BTNBIOTINA,B,C,D,E,F,G3EW20.82
BTNBIOTINB,D2IZG0.82
BTNBIOTINA,D1SWD0.82
BTNBIOTIN0,1,3,4,5,9,
A,B,C,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z
1VQ60.82
BTNBIOTINA2C1Q0.82
BTNBIOTINA2C4I0.82
BTNBIOTINA2IZI0.82
BTNBIOTINB,D2RTE0.82
BTNBIOTINA,B2DTO0.82
BTNBIOTINA,B1XNY0.82
BTNBIOTINA,B2DXT0.82
BTNBIOTINA,B2F010.82
BTNBIOTINA,B,C,D1NQM0.82
BTNBIOTINX,Y1Y520.82
BTNBIOTINA1BIB0.82
BTNBIOTINA,B,C,D1SWP0.82
BTNBIOTINB,D2IZF0.82
BTNBIOTINA,B,C,D1SWR0.82
BTNBIOTINA2BDO0.82
BTNBIOTINB,D2IZH0.82
BTNBIOTINA,B,C,D1N9M0.82
BTNBIOTINA,B,C,D1NDJ0.82
BTNBIOTINA,D2UZ20.82
BTNBIOTINA2B8G0.82
BTNBIOTINA1STP0.82
BTNBIOTINA,C,D1SWN0.82
BTNBIOTINA,B,C2EJF0.82
BTNBIOTINA,B1SWT0.82
BTNBIOTINA,B,C,D1MEP0.82
DPUMIXED CARBAMIC PHOSPHORIC ACID ANHYDRIDE OF 7,8-
DIAMINONONANIC ACID
A1DAK0.76
EPMN-PALMITOYL-L-METHIONINEA,B1ZO90.74
GSML-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINEA,B,C,D2AB60.71
DTB6-(5-METHYL-2-OXO-IMIDAZOLIDIN-
4-YL)-HEXANOIC ACID
A,B1R300.77
DTB6-(5-METHYL-2-OXO-IMIDAZOLIDIN-
4-YL)-HEXANOIC ACID
A1DAM0.77
DTB6-(5-METHYL-2-OXO-IMIDAZOLIDIN-
4-YL)-HEXANOIC ACID
A,B,C,D3FPA0.77
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID
A3BHM0.7
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID
A,B1MC50.7
BSOBIOTIN-D-SULFOXIDEA,B2C1S0.8
HAG4-S-GLUTATHIONYL-5-PENTYL-TETRAHYDRO-
FURAN-2-OL
A,B1B480.72
BH7E-AMINO BIOTINYL CAPROIC ACIDA,B1LCZ0.79
BH7E-AMINO BIOTINYL CAPROIC ACIDA,B1LEL0.79
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE
A1IKG0.73
SHMHOMOBIOTINA,B1LDQ0.82
SHMHOMOBIOTINA,B1LCW0.82
PCJ(2R)-3-{[(2S)-3-HYDROXY-2-(PALMITOYLAMINO)PROPYL]THIO}PROPANE-
1,2-DIYL DIHEXADECANOATE
A,N2Z810.77
PCJ(2R)-3-{[(2S)-3-HYDROXY-2-(PALMITOYLAMINO)PROPYL]THIO}PROPANE-
1,2-DIYL DIHEXADECANOATE
A,B,C2Z7X0.77
SNRNORBIOTINA,B1LCV0.81
SNRNORBIOTINA,B1LDO0.81