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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00475147

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ALYN(6)-ACETYLLYSINEA,B2B4D0.71
ALYN(6)-ACETYLLYSINEA,B2OD90.71
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVR0.71
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVS0.71
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVQ0.71
ALYN(6)-ACETYLLYSINEA,B,C,D2OT70.71
ALYN(6)-ACETYLLYSINEA,B2B5G0.71
ALYN(6)-ACETYLLYSINEA2GIV0.71
ALYN(6)-ACETYLLYSINEB2RNY0.71
ALYN(6)-ACETYLLYSINEA1JSP0.71
ALYN(6)-ACETYLLYSINEA,B,I,L2V5W0.71
ALYN(6)-ACETYLLYSINEA,D3D4B0.71
ALYN(6)-ACETYLLYSINEA,B,C,D2OQ60.71
ALYN(6)-ACETYLLYSINEA,B2R0Y0.71
ALYN(6)-ACETYLLYSINEA3CZ70.71
ALYN(6)-ACETYLLYSINEA1JM40.71
ALYN(6)-ACETYLLYSINEA,B2H4H0.71
ALYN(6)-ACETYLLYSINEA,B2J6V0.71
ALYN(6)-ACETYLLYSINEA,B2R100.71
ALYN(6)-ACETYLLYSINEA,B1YC50.71
ALYN(6)-ACETYLLYSINEA,B,C,D2OX00.71
ALYN(6)-ACETYLLYSINEA,B2H2G0.71
ALYN(6)-ACETYLLYSINEA,D2H4F0.71
ALYN(6)-ACETYLLYSINEA2OU20.71
ALYN(6)-ACETYLLYSINEA,B1S5P0.71
ALYN(6)-ACETYLLYSINEB2RNW0.71
ALYN(6)-ACETYLLYSINEA3D350.71
ALYN(6)-ACETYLLYSINEA,B2OD20.71
ALYN(6)-ACETYLLYSINEA2ZFN0.71
ALYN(6)-ACETYLLYSINEC,D2C1J0.71
ALYN(6)-ACETYLLYSINEA,B2QQG0.71
ALYN(6)-ACETYLLYSINEB2RNX0.71
ALYN(6)-ACETYLLYSINEA,B1MA30.71
ALYN(6)-ACETYLLYSINEA,B2H2H0.71
ALYN(6)-ACETYLLYSINEA2I2Z0.71
ALYN(6)-ACETYLLYSINEA,B2OD70.71
ALYN(6)-ACETYLLYSINEP1E6I0.71
ALYN(6)-ACETYLLYSINEA,B1SZC0.71
ALYN(6)-ACETYLLYSINEA,B,C,D,I,J,
K,L		3EWF0.71
ALYN(6)-ACETYLLYSINEA,B2H2D0.71
ALYN(6)-ACETYLLYSINEA,B1Q1A0.71
ALYN(6)-ACETYLLYSINEA,B1SZD0.71
ALYN(6)-ACETYLLYSINEQ,R2E3K0.71
ALYN(6)-ACETYLLYSINEA2OZU0.71
ALYN(6)-ACETYLLYSINEA,B2QQF0.71
ALYN(6)-ACETYLLYSINEA,B,C2R0V0.71
ATIN-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACIDA1Y0Y0.7
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA1DAG0.76
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA1DAF0.76
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA,B,C,D3FMF0.76
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA1DAI0.76
HU1TERT-BUTYL {(1S)-2-[(1R,2S,5S)-
2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-
2,3-DIOXOPROPYL]AMINO}CARBONYL)-
6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEX-
3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE		A,C2OC00.7
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A2BJS0.72
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A1QJE0.72
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A1BK00.72
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A1BLZ0.72
ABX5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
4-(METHOXYCARBONYL)PROLINE		A1XOE0.7
LBYN~6~-(TERT-BUTOXYCARBONYL)-L-LYSINEA2ZIN0.77
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.7
AR9(2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7-
dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-
5-yl]-4-hydroxy-2-methylbutanamide		A,B,C3DV10.76
FEBN~2~-[(3R)-3-hydroxydodecanoyl]-
L-asparaginyl-N~1~-[(1S)-1-(hydroxymethyl)-
3-methylbutyl]-L-glutamamide		2,H,K,N,V,Y3D290.71
HUDTERT-BUTYL [(1S)-1-{[(1R,2S,5S)-
2-({[(1S)-3-AMINO-1-(CYCLOPROPYLMETHYL)-
2,3-DIOXOPROPYL]AMINO}CARBONYL)-
6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEX-
3-YL]CARBONYL}-2,2-DIMETHYLPROPYL]CARBAMATE		A,C2OBO0.71
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE		A1IKG0.78
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.73
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID		A,B2J9P0.76
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID		A,B,C,D2VGK0.76
RO4[[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL-
BUTYL]-CARBONYL-LEUCINYL]-ALANINE ETHYL ESTER		A2TCL0.71
IVS3-HYDROXY-6-METHYL-4-(3-METHYL-
2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-
BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER		A,B1ME60.77
DPUMIXED CARBAMIC PHOSPHORIC ACID ANHYDRIDE OF 7,8-
DIAMINONONANIC ACID		A1DAK0.71
DAA8-AMINO-7-CARBOXYAMINO-NONANOIC ACID WITH ALUMINUM FLUORIDEA1BS10.74
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A3EMY0.74
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A2H6T0.74
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B1LS50.74
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B1SME0.74
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,C1W6I0.74
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B1XDH0.74
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B2QZX0.74
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A1IZE0.74
IHNN-(3-methylbutanoyl)-L-valyl-N-
[(1R,2R)-4-{[(1R)-2-({(1R)-1-[(1R)-
2-carboxy-1-hydroxyethyl]-3-methylbutyl}amino)-
1-methyl-2-oxoethyl]amino}-2-hydroxy-
1-(2-methylpropyl)-4-oxobutyl]-
L-valinamide		A,B1M430.74
UZ9(2S)-2-AMINO-6-({(4R)-4-[(10R,13S)-
10,13-DIMETHYL-3-OXOHEXADECAHYDRO-
1H-CYCLOPENTA[A]PHENANTHREN-17-
YL]PENTANOYL}AMINO)HEXANOIC ACID		A,B1UZ90.73
U17METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]-
L-SERYL-L-LEUCINATE		A2GGB0.76
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE		A1IKI0.79
0AGN-(ethoxycarbonyl)-L-leucineI,J1PSA0.71
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID		A,B1K090.71
O12N~5~-dodecanoyl-L-ornithineA,B,C,D,E,F,
G,H,I,J,K,L		3CAY0.71
O12N~5~-dodecanoyl-L-ornithineA,B,C,D,E,F,
G,H,I,J,K,L		3CBA0.71
TCOTERT-BUTYL(1S)-1-CYCLOHEXYL-2-OXOETHYLCARBAMATEA1Q6K0.73
RE1GLYCYL-L-A-AMINOPIMELYL-E-(D-2-
AMINOETHYL)PHOSPHONATE		A1MPL0.7