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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02426026

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IP1ISOPENICILLIN NA1QJE1
HJ3(2R,4S)-2-[(1R)-1-{[(6S)-6-amino-
6-carboxyhexanoyl]amino}-2-oxoethyl]-
5,5-dimethyl-1,3-thiazolidine-4-
carboxylic acid
A3BEB0.83
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID
A3BHM0.71
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID
A,B1MC50.71
CDHD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
D-ISODEHYDROVALINE
A1UZW0.72
APV6-(5-AMINO-5-CARBOXY-PENTANOYLAMINO)-
3-HYDROXYMETHYL-7-OXO-4-THIA-1-
AZA-BICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID
A1ODN0.9
GSML-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINEA,B,C,D2AB60.74
A14(1S,4S,5S,7R)-7-{[(5S)-5-AMINO-
5-CARBOXYPENTANOYL]AMINO}-3,3-DIMETHYL-
6-OXO-2-THIABICYCLO[3.2.0]HEPTANE-
4-CARBOXYLIC ACID
A2JB40.75
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W050.78
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W060.78
GTYL-GAMMA-GLUTAMYL-S-OCTYL-D-CYSTEINYLGLYCINEA1U880.73
HJ2(2R)-2-[(R)-{[(6S)-6-amino-6-carboxyhexanoyl]amino}(carboxy)methyl]-
5-methyl-3,6-dihydro-2H-1,3-thiazine-
4-carboxylic acid
A3BEC0.7
ACCN-[N-[2-AMINO-6-OXO-HEXANOIC ACID-
6-YL]CYSTEINYL]-S-METHYLCYSTEINE
A1QIQ0.81
VB1N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-
2-oxo-1-(sulfanylmethyl)ethyl]-
6-oxo-L-lysine
A2VBP0.78
P1CDEACETOXYCEPHALOSPORIN-CA1UOG0.77
P1CDEACETOXYCEPHALOSPORIN-CA1W2O0.77
ACWD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
B-METHYL-D-CYCLOPROPYLGLYCINE
B2IVI0.76
H2A(6R,7R)-3-[(ACETYLOXY)METHYL]-7-
{[(6S)-6-(GLYCYLAMINO)-7-OXIDO-
7-OXOHEPTANOYL]AMINO}-8-OXO-5-THIA-
1-AZABICYCLO[4.2.0]OCTANE-2-CARBOXYLATE
A1PW80.71
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE
A1W030.77
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE
A1W040.77
HFVDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-L-3,3,3,3',3',3'-HEXAFLUOROVALINE
A2BU90.74
TGGGAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINEA2F2K0.71
TGGGAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINEA,B2V6K0.71
ACS1-[(1S)-CARBOXY-2-(METHYLSULFINYL)ETHYL]-
(3R)-[(5S)-5-AMINO-5-CARBOXYPENTANAMIDO]-
(4R)-SULFANYLAZETIDIN-2-ONE
A1QJF0.84
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
A1PWG0.89
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
A1PW10.89
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A2BJS0.8
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1QJE0.8
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BK00.8
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BLZ0.8
BCVD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
D-CYCLOPROPYLGLYCINE
A2IVJ0.77
GTXS-HEXYLGLUTATHIONEA,B1K3Y0.75
GTXS-HEXYLGLUTATHIONEA,B1AGS0.75
GTXS-HEXYLGLUTATHIONEA,B1PN90.75
GTXS-HEXYLGLUTATHIONEA,B1Q4J0.75
GTXS-HEXYLGLUTATHIONEA,B2IMK0.75
GTXS-HEXYLGLUTATHIONEA,B4GSS0.75
GTXS-HEXYLGLUTATHIONEA,B,C1GWC0.75
GTXS-HEXYLGLUTATHIONEA,B,C,D2C3Q0.75
GTXS-HEXYLGLUTATHIONEA,B,C,D1TU80.75
GTXS-HEXYLGLUTATHIONEA,B2GLR0.75
GTXS-HEXYLGLUTATHIONEA,B2OA70.75
GTXS-HEXYLGLUTATHIONEA,C2AAW0.75
GTXS-HEXYLGLUTATHIONEA,B1VF20.75
GTXS-HEXYLGLUTATHIONEA1M9A0.75
GTXS-HEXYLGLUTATHIONEA,B17GS0.75
GTXS-HEXYLGLUTATHIONEA,B1K0A0.75
GTXS-HEXYLGLUTATHIONEA,B2R3X0.75
GTXS-HEXYLGLUTATHIONEA,B1GSU0.75
GTXS-HEXYLGLUTATHIONEA,B2C800.75
GTXS-HEXYLGLUTATHIONEA,B2R6K0.75
GTXS-HEXYLGLUTATHIONEA,B1PGT0.75
GTXS-HEXYLGLUTATHIONEA,B2J9H0.75
GTXS-HEXYLGLUTATHIONEA,B1K3L0.75
GTXS-HEXYLGLUTATHIONEA,B1GNW0.75
GTXS-HEXYLGLUTATHIONEA,B,C,D1BH50.75
GTXS-HEXYLGLUTATHIONEA,B1YDK0.75
GTXS-HEXYLGLUTATHIONEA,B9GSS0.75
CSC4-(3-ACETOXYMETHYL-2-CARBOXY-8-
OXO-5-THIA-1-AZA-BICYCLO[4.2.0]OCT-
2-EN-7-YLCARBAMOYL)-1-CARBOXY-BUTYL-
AMMONIUM
A,B,C,D,E,F,
G,H,I,J,K,L
2VAV0.71
CSC4-(3-ACETOXYMETHYL-2-CARBOXY-8-
OXO-5-THIA-1-AZA-BICYCLO[4.2.0]OCT-
2-EN-7-YLCARBAMOYL)-1-CARBOXY-BUTYL-
AMMONIUM
A,B,C,D,E,F,
G,H,I,J,K,L
2VAX0.71
CSC4-(3-ACETOXYMETHYL-2-CARBOXY-8-
OXO-5-THIA-1-AZA-BICYCLO[4.2.0]OCT-
2-EN-7-YLCARBAMOYL)-1-CARBOXY-BUTYL-
AMMONIUM
A1PWD0.71