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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03505243

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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
IVS3-HYDROXY-6-METHYL-4-(3-METHYL-
2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-
BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER		A,B1ME60.87
0AGN-(ethoxycarbonyl)-L-leucineI,J1PSA0.73
5FP5,5,5-TRIFLUORO-3-HYDROXY-4-[2-
(5,5,5-TRIFLUORO-3-HYDROXY-4-{3-
METHYL-2-[3-METHYL-2-(3-METHYL-
BUTYRYLAMINO)-BUTYRYLAMINO]-BUTYRYLAMINO}-
PENTANOYLAMINO)-PROPIONYLAMINO]-
PENTANOIC ACID		A,B1XE60.74
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE		A1W030.73
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE		A1W040.73
VB1N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-
2-oxo-1-(sulfanylmethyl)ethyl]-
6-oxo-L-lysine		A2VBP0.74
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE		A1W050.74
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE		A1W060.74
C6LN-hexanoyl-L-homoserineA3DHA0.76
C6LN-hexanoyl-L-homoserineA3DHB0.76
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID		A,B1K090.79
NSKN-SUCCINYL LYSINEA2P8B0.74
RO4[[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL-
BUTYL]-CARBONYL-LEUCINYL]-ALANINE ETHYL ESTER		A2TCL0.7
DPUMIXED CARBAMIC PHOSPHORIC ACID ANHYDRIDE OF 7,8-
DIAMINONONANIC ACID		A1DAK0.7
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A1AEC0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A,B2PRE0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A1CV80.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A3C9E0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A,B3BCN0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A1ATK0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A,B,C,D3BPF0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A1TLO0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A1QX60.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A1MEG0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE		A,B,C,D2BDZ0.71
ABX5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
4-(METHOXYCARBONYL)PROLINE		A1XOE0.74
ZDP(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA,B,C,D,E,F3EJX0.75
ZDP(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA2GKE0.75
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A2BJS0.75
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A1QJE0.75
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A1BK00.75
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A1BLZ0.75
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,C1YM40.72
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide		A,B3HY70.72
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide		A,B2JIH0.72
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide		A1R550.72
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1PPP0.79
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1PE60.79
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1ITO0.79
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,C3DV10.79
SLA(3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-
2-methylpropyl]-4-methyl-5-oxo-
D-proline		H,K,V,Y3DY40.72
S80N1-HYDROXY-2-(3-HYDROXY-PROPYL)-
3-ISOBUTYL-N4-[1-(2-METHOXY-ETHYL)-
2-OXO-AZEPAN-3-YL]-SUCCINAMIDE		A,B1BIW0.71
EPXEPOXOMICIND,F,G,H,I,K,
L,N,Y		1G650.71
LBYN~6~-(TERT-BUTOXYCARBONYL)-L-LYSINEA2ZIN0.7
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.72
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE		A1IKI0.86
RE1GLYCYL-L-A-AMINOPIMELYL-E-(D-2-
AMINOETHYL)PHOSPHONATE		A1MPL0.76
ATIN-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACIDA1Y0Y0.74
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.79
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
AFJ(2R,4S,5S)-N-butyl-4-hydroxy-2,7-
dimethyl-5-{[N-(4-methylpentanoyl)-
L-methionyl]amino}octanamide		A,B,C3DUY0.71
DNGN-FORMYL-D-NORLEUCINEA,B1S4A0.71
LLYNZ-(DICARBOXYMETHYL)LYSINEA,B1UCW0.75
LASN-acetyl-S-({(2R,3S,4R)-3-hydroxy-
2-[(1S)-1-hydroxy-2-methylpropyl]-
4-methyl-5-oxopyrrolidin-2-yl}carbonyl)cysteine		A,B3DPM0.73
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.71
THCN-METHYLCARBONYLTHREONINEB2HR00.71
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.71
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.71
074[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-
DIONYL]-ISOLEUCYL-PROLINE		A1QDQ0.71
U17METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]-
L-SERYL-L-LEUCINATE		A2GGB0.82
ZDR(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA,B,C,D,E,F3EKM0.75
ZDR(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACIDA2GKJ0.75
5FE5,5,5-TRIFLUORO-3-HYDROXY-4-[2-
(5,5,5-TRIFLUORO-3-HYDROXY-4-{3-
METHYL-2-[3-METHYL-2-(3-METHYL-
BUTYRYLAMINO)-BUTYRYLAMINO]-BUTYRYLAMINO}-
PENTANOYLAMINO)-PROPIONYLAMINO]-
PENTANOIC ACID METHYL ESTER		A,B1XE50.73
SUJ(2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY-
2-OXOPIPERIDINYL]-3-HYDROXYBUTANOIC ACID		C,D1OKX0.74
DH9(2S,3S,5S)-5-[(N-FORMYL-L-LEUCYL)OXY]-
2-HEXYL-3-HYDROXYHEXADECANOIC ACID		A,B2PX60.75
TMD(6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N-
DIMETHYL-THREONINE		C1CWK0.8
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		A3EMY0.86
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		A2H6T0.86
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,B1LS50.86
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,B1SME0.86
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,C1W6I0.86
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,B1XDH0.86
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,B2QZX0.86
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		A1IZE0.86
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,B1M430.86
DAA8-AMINO-7-CARBOXYAMINO-NONANOIC ACID WITH ALUMINUM FLUORIDEA1BS10.74
ALYN(6)-ACETYLLYSINEA,B2B4D0.75
ALYN(6)-ACETYLLYSINEA,B2OD90.75
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVR0.75
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVS0.75
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVQ0.75
ALYN(6)-ACETYLLYSINEA,B,C,D2OT70.75
ALYN(6)-ACETYLLYSINEA,B2B5G0.75
ALYN(6)-ACETYLLYSINEA2GIV0.75
ALYN(6)-ACETYLLYSINEB2RNY0.75
ALYN(6)-ACETYLLYSINEA1JSP0.75
ALYN(6)-ACETYLLYSINEA,B,I,L2V5W0.75
ALYN(6)-ACETYLLYSINEA,D3D4B0.75
ALYN(6)-ACETYLLYSINEA,B,C,D2OQ60.75
ALYN(6)-ACETYLLYSINEA,B2R0Y0.75
ALYN(6)-ACETYLLYSINEA3CZ70.75
ALYN(6)-ACETYLLYSINEA1JM40.75
ALYN(6)-ACETYLLYSINEA,B2H4H0.75
ALYN(6)-ACETYLLYSINEA,B2J6V0.75
ALYN(6)-ACETYLLYSINEA,B2R100.75
ALYN(6)-ACETYLLYSINEA,B1YC50.75
ALYN(6)-ACETYLLYSINEA,B,C,D2OX00.75
ALYN(6)-ACETYLLYSINEA,B2H2G0.75
ALYN(6)-ACETYLLYSINEA,D2H4F0.75
ALYN(6)-ACETYLLYSINEA2OU20.75
ALYN(6)-ACETYLLYSINEA,B1S5P0.75
ALYN(6)-ACETYLLYSINEB2RNW0.75
ALYN(6)-ACETYLLYSINEA3D350.75
ALYN(6)-ACETYLLYSINEA,B2OD20.75
ALYN(6)-ACETYLLYSINEA2ZFN0.75
ALYN(6)-ACETYLLYSINEC,D2C1J0.75
ALYN(6)-ACETYLLYSINEA,B2QQG0.75
ALYN(6)-ACETYLLYSINEB2RNX0.75
ALYN(6)-ACETYLLYSINEA,B1MA30.75
ALYN(6)-ACETYLLYSINEA,B2H2H0.75
ALYN(6)-ACETYLLYSINEA2I2Z0.75
ALYN(6)-ACETYLLYSINEA,B2OD70.75
ALYN(6)-ACETYLLYSINEP1E6I0.75
ALYN(6)-ACETYLLYSINEA,B1SZC0.75
ALYN(6)-ACETYLLYSINEA,B,C,D,I,J,
K,L		3EWF0.75
ALYN(6)-ACETYLLYSINEA,B2H2D0.75
ALYN(6)-ACETYLLYSINEA,B1Q1A0.75
ALYN(6)-ACETYLLYSINEA,B1SZD0.75
ALYN(6)-ACETYLLYSINEQ,R2E3K0.75
ALYN(6)-ACETYLLYSINEA2OZU0.75
ALYN(6)-ACETYLLYSINEA,B2QQF0.75
ALYN(6)-ACETYLLYSINEA,B,C2R0V0.75
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID		A,B1K090.79
SLR(3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-
2-methylpropyl]-4-methyl-5-oxo-
D-proline		K,Y3DY30.72
ACWD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
B-METHYL-D-CYCLOPROPYLGLYCINE		B2IVI0.72
BB2ACTINONINA,B,C,D3G5K0.73
BB2ACTINONINA,B,C1LRU0.73
BB2ACTINONINA,B2OKL0.73
BB2ACTINONINA2OS10.73
BB2ACTINONINA,B,C1G2A0.73
BB2ACTINONINA1Q1Y0.73
BB2ACTINONINA,B,C,D,E,F,
G,H		1SZZ0.73
BB2ACTINONINA1LQY0.73
BB2ACTINONINA2OS30.73
BB2ACTINONINA1LRY0.73
BB2ACTINONINA,B1IX10.73
BB2ACTINONINA1WS10.73
HFVDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-L-3,3,3,3',3',3'-HEXAFLUOROVALINE		A2BU90.7
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B1O5K0.74
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B3CPR0.74
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B2VC60.74
BCVD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
D-CYCLOPROPYLGLYCINE		A2IVJ0.72
NAV6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-
4-OXONONANOIC ACID		A,C1F7B0.72
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
STASTATINEE1EPP0.72
STASTATINEI1XN30.72
STASTATINEA,B,I,J2FIV0.72
STASTATINEA,B,C,D1QS80.72
STASTATINEA,B2RMP0.72
STASTATINEE,I1APU0.72
STASTATINEA,I1GVU0.72
STASTATINEI3ER50.72
STASTATINEI2ER90.72
STASTATINEE,I4ER20.72
STASTATINEA,C,I,J,K2B7F0.72
STASTATINEA,B,C5HVP0.72
STASTATINEA,I1GVV0.72
STASTATINEA,I1WKR0.72
STASTATINEI5APR0.72
STASTATINEI1PSO0.72
STASTATINEI6APR0.72
STASTATINEA1FQ50.72
STASTATINEA,I3FNT0.72
STASTATINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		3FV30.72
STASTATINEA,B,C,D,I,J1LYB0.72
STASTATINEB1FIV0.72
STASTATINEI4APR0.72
ACCN-[N-[2-AMINO-6-OXO-HEXANOIC ACID-
6-YL]CYSTEINYL]-S-METHYLCYSTEINE		A1QIQ0.7
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID		A,B2J9P0.83
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID		A,B,C,D2VGK0.83
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE		A1IKG0.84
FEBN~2~-[(3R)-3-hydroxydodecanoyl]-
L-asparaginyl-N~1~-[(1S)-1-(hydroxymethyl)-
3-methylbutyl]-L-glutamamide		2,H,K,N,V,Y3D290.78
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine		A,B,C3B800.79
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine		A,B,C3B7V0.79