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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00468446

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SMGN-SUCCINYL METHIONINEA,B,C,D1SJC0.74
IP1ISOPENICILLIN NA1QJE0.7
AFJ(2R,4S,5S)-N-butyl-4-hydroxy-2,7-
dimethyl-5-{[N-(4-methylpentanoyl)-
L-methionyl]amino}octanamide
A,B,C3DUY0.77
ATIN-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACIDA1Y0Y0.72
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
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
A2JB40.73
GSML-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINEA,B,C,D2AB60.74
GTYL-GAMMA-GLUTAMYL-S-OCTYL-D-CYSTEINYLGLYCINEA1U880.74
VB1N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-
2-oxo-1-(sulfanylmethyl)ethyl]-
6-oxo-L-lysine
A2VBP0.72
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W050.72
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W060.72
HFVDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-L-3,3,3,3',3',3'-HEXAFLUOROVALINE
A2BU90.71
NSKN-SUCCINYL LYSINEA2P8B0.7
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
AXFA,B,C2F3F0.71
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
TGGGAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINEA2F2K0.72
TGGGAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINEA,B2V6K0.72
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE
A1IKI0.7
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A2BJS0.76
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1QJE0.76
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BK00.76
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BLZ0.76
HJ3(2R,4S)-2-[(1R)-1-{[(6S)-6-amino-
6-carboxyhexanoyl]amino}-2-oxoethyl]-
5,5-dimethyl-1,3-thiazolidine-4-
carboxylic acid
A3BEB0.75
BCVD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
D-CYCLOPROPYLGLYCINE
A2IVJ0.73
AXQ{(E)-(3R,6S,9R)-3-[(1S,3R)-3-((S)-
1 -BUTYLCARBAMOYL-2-METHYL-PROPYLCARB AMOYL)-
1-HYDROXY-BUTYL]-6-METHYL-5, 8-
DIOXO-1,11-DITHIA-4,7-DIAZA-CYCLO PENTADEC-
13-EN-9-YL}-CARBAMIC ACID TERT-
BUTYL ESTER
A,B,C2F3E0.71
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
A1PWG0.72
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
A1PW10.72
2NHN-ACETYL-S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-
2,6,10-TRIENYL]-L-CYSTEINYL-D-VALYL-
L-ISOLEUCYL-L-METHIONINE
B1O1T0.71
ACS1-[(1S)-CARBOXY-2-(METHYLSULFINYL)ETHYL]-
(3R)-[(5S)-5-AMINO-5-CARBOXYPENTANAMIDO]-
(4R)-SULFANYLAZETIDIN-2-ONE
A1QJF0.7
ACCN-[N-[2-AMINO-6-OXO-HEXANOIC ACID-
6-YL]CYSTEINYL]-S-METHYLCYSTEINE
A1QIQ0.75
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE
A1IKG0.72
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE
A1W030.71
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE
A1W040.71
ACWD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
B-METHYL-D-CYCLOPROPYLGLYCINE
B2IVI0.72
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
EPMN-PALMITOYL-L-METHIONINEA,B1ZO90.77
AMK(S)-4-AMINO-4-{(S)-1-[(S)-2-CARBAMOYL-
1-((S)-1-{(S)-[(1R,2R)-2-((S)-1-
CARBOXY-ETHYLCARBAMOYL)-CYCLOPENTYL]-
HYDROXY-METHYL}-3-METHYL-BUTYLCARBAMOYL)-
ETHYLCARBAMOYL]-2-METHYL-PROPYLCARBAMOYL}-
BUTYRIC ACID
A,B,C1YM40.71
AUAA,B,C1YM20.73
CYKN-hexanoyl-L-homocysteineA3DHC0.71