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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01880517

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		A1IKI0.84
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A2BJS0.78
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A1QJE0.78
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A1BK00.78
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A1BLZ0.78
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
AIO[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-
2-YL]BORONIC ACID		A2EEP0.73
AIO[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-
2-YL]BORONIC ACID		A2Z3Z0.73
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE		A1W050.74
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE		A1W060.74
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID		A,B1K090.75
O12N~5~-dodecanoyl-L-ornithineA,B,C,D,E,F,
G,H,I,J,K,L		3CAY0.75
O12N~5~-dodecanoyl-L-ornithineA,B,C,D,E,F,
G,H,I,J,K,L		3CBA0.75
NSKN-SUCCINYL LYSINEA2P8B0.74
TCOTERT-BUTYL(1S)-1-CYCLOHEXYL-2-OXOETHYLCARBAMATEA1Q6K0.71
OLN(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACIDA1YH10.7
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.71
ZAL3-cyclohexyl-D-alanineI1HBT0.7
CYKN-hexanoyl-L-homocysteineA3DHC0.72
DAA8-AMINO-7-CARBOXYAMINO-NONANOIC ACID WITH ALUMINUM FLUORIDEA1BS10.71
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine		A,B,C3B800.7
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine		A,B,C3B7V0.7
PYHN~6~-{[(2R,3R)-3-METHYL-3,4-DIHYDRO-
2H-PYRROL-2-YL]CARBONYL}-L-LYSINE		A2ZCE0.73
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5Z0.7
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I5GDS0.7
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2A2X0.7
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FEQ0.7
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2ANK0.7
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,C,D3DPP0.7
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1EB10.7
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1NZQ0.7
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1HBT0.7
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D6E0.7
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B1B3H0.7
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FES0.7
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDC,D,E,G,H3DPQ0.7
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1THS0.7
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1QUR0.7
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D3DPO0.7
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I4THN0.7
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,D1D5M0.7
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1O0D0.7
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1YWH0.7
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1XRZ0.7
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5X0.7
MCP2-CARBOXY-4-METHYLPIPERIDINEH1ETR0.74
0AGN-(ethoxycarbonyl)-L-leucineI,J1PSA0.72
LBYN~6~-(TERT-BUTOXYCARBONYL)-L-LYSINEA2ZIN0.7
ABX5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-
4-(METHOXYCARBONYL)PROLINE		A1XOE0.72
ATIN-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACIDA1Y0Y0.74
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE		A1IKG0.82
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.79
CIB2-ACETYLAMINO-4-METHYL-PENTANOIC ACID [1-
(1-FORMYL-PENTYLCARBAMOYL)-3-METHYL-
BUTYL]-AMIDE		H,I,J,K,L,M,N1J2Q0.74
RE1GLYCYL-L-A-AMINOPIMELYL-E-(D-2-
AMINOETHYL)PHOSPHONATE		A1MPL0.74
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID		A,B2J9P0.81
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID		A,B,C,D2VGK0.81
RO4[[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL-
BUTYL]-CARBONYL-LEUCINYL]-ALANINE ETHYL ESTER		A2TCL0.79
ACWD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
B-METHYL-D-CYCLOPROPYLGLYCINE		B2IVI0.74
BEQN-(CARBOXYMETHYL)-N,N-DIMETHYL-
3-[(1-OXODODECYL)AMINO]-1-PROPANAMINIUM INNER SALT		A,B,C,D1YBK0.74
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.7
EPMN-PALMITOYL-L-METHIONINEA,B1ZO90.73
140N-PALMITOYLGLYCINEA,B1JPZ0.77
140N-PALMITOYLGLYCINEA,B1ZOA0.77
140N-PALMITOYLGLYCINEA,B3CBD0.77
BUJ(3R)-3-(hexadecanoylamino)-4-(trimethylammonio)butanoateA,B2RCU0.7
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,B1UZ90.72
BCVD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
D-CYCLOPROPYLGLYCINE		A2IVJ0.74
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE		A,B3EDZ0.73
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE		A,B3EWJ0.73
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE		A,B2DDF0.73
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE		A,B,C,D2I470.73
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE		A,C,E,I1BKC0.73
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE		A,B2FV90.73
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE		A,B3E8R0.73
IGN{[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)AMINO]CARBONYL}PIPERIDINYL)-
1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]AMINO}ACETIC ACID		A1K1O0.79
IGN{[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)AMINO]CARBONYL}PIPERIDINYL)-
1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]AMINO}ACETIC ACID		H,I1K210.79
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1PPP0.73
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1PE60.73
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE		A1ITO0.73
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,C3DV10.75
BB12-[(FORMYL-HYDROXY-AMINO)-METHYL]-
HEXANOIC ACID (1-DIMETHYLCARBAMOYL-
2,2-DIMETHYL-PROPYL)-AMIDE		A,B,C1G270.71
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
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
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.76
U17METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]-
L-SERYL-L-LEUCINATE		A2GGB0.76
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.7
AN0N-ACETYL-L-NORVALINEA1ZQ80.7
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
C6LN-hexanoyl-L-homoserineA3DHA0.74
C6LN-hexanoyl-L-homoserineA3DHB0.74
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA1DAG0.73
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA1DAF0.73
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA,B,C,D3FMF0.73
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA1DAI0.73
IVS3-HYDROXY-6-METHYL-4-(3-METHYL-
2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-
BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER		A,B1ME60.75
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B1O5K0.74
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B3CPR0.74
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B2VC60.74
277N-(TRANS-4-{(1S,2S)-2-AMINO-3-[(3S)-
3-FLUOROPYRROLIDIN-1-YL]-1-METHYL-
3-OXOPROPYL}CYCLOHEXYL)-N-METHYLACETAMIDE		A,B2OPH0.73
HFVDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-L-3,3,3,3',3',3'-HEXAFLUOROVALINE		A2BU90.72
ACCN-[N-[2-AMINO-6-OXO-HEXANOIC ACID-
6-YL]CYSTEINYL]-S-METHYLCYSTEINE		A1QIQ0.7
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID		A,B1K090.74
FEBN~2~-[(3R)-3-hydroxydodecanoyl]-
L-asparaginyl-N~1~-[(1S)-1-(hydroxymethyl)-
3-methylbutyl]-L-glutamamide		2,H,K,N,V,Y3D290.7