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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02244859

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine
A,B,C3B800.75
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine
A,B,C3B7V0.75
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B2J9P0.7
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B,C,D2VGK0.7
IVS3-HYDROXY-6-METHYL-4-(3-METHYL-
2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-
BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER
A,B1ME60.76
168PANTOTHENYL-AMINOETHANOL-ACETATE PIVALIC ACIDA,B,C,D1OU60.75
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.73
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.73
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.73
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.73
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.73
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.73
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PPP0.8
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PE60.8
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1ITO0.8
INC2-(ACETYL-HYDROXY-AMINO)-4-METHYL-
PENTANOIC ACID METHYL ESTER
A7TLN0.77
NLGN-ACETYL-L-GLUTAMATEA1OH90.7
NLGN-ACETYL-L-GLUTAMATEA1OHA0.7
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,I,J,K,L
2BUF0.7
NLGN-ACETYL-L-GLUTAMATEA,B,C,D2RD50.7
NLGN-ACETYL-L-GLUTAMATEA,B2JJ40.7
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,J,K
2V5H0.7
NLGN-ACETYL-L-GLUTAMATEA1GSJ0.7
NLGN-ACETYL-L-GLUTAMATEA3B8G0.7
NLGN-ACETYL-L-GLUTAMATEA1GS50.7
NLGN-ACETYL-L-GLUTAMATEA,B,C2BTY0.7
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.7
042N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-THREONYL-L-ISOLEUCINE
A2DC70.76
074[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-
DIONYL]-ISOLEUCYL-PROLINE
A1QDQ0.74
MDZN~6~-METHYL-6-OXO-L-LYSINE - 2-
[(3-MERCAPTOBUTANOYL)OXY]-3-METHYLBUTANOIC ACID
A1W3V0.77
MLEN-METHYLLEUCINEA,D2J9A0.72
MLEN-METHYLLEUCINEC1IKF0.72
MLEN-METHYLLEUCINEA,M,N2Z6W0.72
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P
1C5F0.72
MLEN-METHYLLEUCINED,E,F1XQ70.72
MLEN-METHYLLEUCINEC1CWA0.72
MLEN-METHYLLEUCINEC1CWF0.72
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMB0.72
MLEN-METHYLLEUCINEB3CYS0.72
MLEN-METHYLLEUCINEC1CWH0.72
MLEN-METHYLLEUCINEA,B,C,D,E,F,
G,H
3BO70.72
MLEN-METHYLLEUCINEC1CYN0.72
MLEN-METHYLLEUCINEA1LV90.72
MLEN-METHYLLEUCINEC,D2OJU0.72
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMA0.72
MLEN-METHYLLEUCINEA1IKM0.72
MLEN-METHYLLEUCINEC1CWK0.72
MLEN-METHYLLEUCINEA,B2HG80.72
MLEN-METHYLLEUCINEC1CWB0.72
MLEN-METHYLLEUCINEC1CWJ0.72
MLEN-METHYLLEUCINEA1CYB0.72
MLEN-METHYLLEUCINED1QNG0.72
MLEN-METHYLLEUCINEB1MIK0.72
MLEN-METHYLLEUCINEA1CSA0.72
MLEN-METHYLLEUCINEC1CWL0.72
MLEN-METHYLLEUCINEA1CYA0.72
MLEN-METHYLLEUCINEA,B,D1MF80.72
MLEN-METHYLLEUCINEC1BCK0.72
MLEN-METHYLLEUCINEA,B,D,E,F,H1M630.72
MLEN-METHYLLEUCINEC1CWC0.72
MLEN-METHYLLEUCINEC1CWI0.72
MLEN-METHYLLEUCINEC,D1QNH0.72
MLEN-METHYLLEUCINEB,D,F,H2RMC0.72
MLEN-METHYLLEUCINEC1CWM0.72
MLEN-METHYLLEUCINET,U,V2POY0.72
MLEN-METHYLLEUCINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.72
MLEN-METHYLLEUCINEC1CWO0.72
MLEN-METHYLLEUCINEA1IKL0.72
76VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE
A2DCB0.75
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.74
THCN-METHYLCARBONYLTHREONINEB2HR00.74
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.74
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.74
TMD(6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N-
DIMETHYL-THREONINE
C1CWK0.7
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,B1XE60.7
OPIPANTOTHENYL-AMINOETHANOL-11-PIVALIC ACIDA,B,C,D2VU10.74
V10N^6^-[(1R)-2-[(1R)-1-carboxy-2-
(methylsulfanyl)ethoxy]-2-oxo-1-
(sulfanylmethyl)ethyl]-6-oxo-L-
lysine
A2VBD0.7
59AN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCINE
A2DC80.8
RO4[[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL-
BUTYL]-CARBONYL-LEUCINYL]-ALANINE ETHYL ESTER
A2TCL0.73
EP2methyl N-[(2S)-4-{[(1S)-1-{[(2S)-
2-carboxypyrrolidin-1-yl]carbonyl}-
3-methylbutyl]amino}-2-hydroxy-
4-oxobutanoyl]-L-leucylglycylglycinate
B1SP40.73
ATIN-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACIDA1Y0Y0.76
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1AEC0.72
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B2PRE0.72
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1CV80.72
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A3C9E0.72
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B3BCN0.72
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1ATK0.72
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B,C,D3BPF0.72
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1TLO0.72
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1QX60.72
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1MEG0.72
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B,C,D2BDZ0.72
UDC(2S,3S)-2-((2S,3R,4S,5R)-5-ETHANAMIDO-
3-HYDROXY-2-(HYDROXYMETHYL)TETRAHYDRO-
2H-PYRAN-4-YLOXY)-3,4-DIHYDROXY-
2-METHYLBUTANOIC ACID
A,B,C,D2Z2C0.7
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.73
PAUPANTOTHENOIC ACIDA,B2F9W0.74
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BF10.74
PAUPANTOTHENOIC ACIDA,B,C,D1SQ50.74
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BEX0.74
M11N^6^-[(1R,2S)-1-({[(1R)-1-carboxy-
2-methylpropyl]oxy}carbonyl)-2-
sulfanylpropyl]-6-oxo-L-lysine
A2VE10.77
M11N^6^-[(1R,2S)-1-({[(1R)-1-carboxy-
2-methylpropyl]oxy}carbonyl)-2-
sulfanylpropyl]-6-oxo-L-lysine
A2VCM0.77
75VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE
A2DCA0.75
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.74
AN0N-ACETYL-L-NORVALINEA1ZQ80.74
SCVN6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-
1-(MERCAPTOCARBONYL)-2-OXOETHYL]-
6-OXO-L-LYSINE
A1HB20.75
SCVN6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-
1-(MERCAPTOCARBONYL)-2-OXOETHYL]-
6-OXO-L-LYSINE
A1HB40.75
SCVN6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-
1-(MERCAPTOCARBONYL)-2-OXOETHYL]-
6-OXO-L-LYSINE
A1HB30.75
LAE3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-
FURAN-3-YL)-AMIDE
A,B,C,D1L3L0.7
LAE3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-
FURAN-3-YL)-AMIDE
A,B2Q0O0.7
V20N6^-[(1R)-2-[(1S)-1-CARBOXY-2-(METHYLSULFANYL)ETHOXY]-
2-OXO-1-(SULFANYLMETHYL)ETHYL]-
6-OXO-L-LYSINE
A2VAU0.7
0AGN-(ethoxycarbonyl)-L-leucineI,J1PSA0.83
74MMETHYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-
2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE
A2DC90.72
DH9(2S,3S,5S)-5-[(N-FORMYL-L-LEUCYL)OXY]-
2-HEXYL-3-HYDROXYHEXADECANOIC ACID
A,B2PX60.72
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,B1XE50.72
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.73
IMLN-METHYL-ISOLEUCINEC1CWM0.7
HTFN-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDEA2AVX0.71
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide
A,B3HY70.71
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide
A,B2JIH0.71
097(2S,3R)-N~4~-[(1S)-2,2-dimethyl-
1-(methylcarbamoyl)propyl]-N~1~,2-
dihydroxy-3-(2-methylpropyl)butanediamide
A1R550.71
C6LN-hexanoyl-L-homoserineA3DHA0.75
C6LN-hexanoyl-L-homoserineA3DHB0.75
U17METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]-
L-SERYL-L-LEUCINATE
A2GGB0.79
OCVN6-[(1R)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-
1-(MERCAPTOMETHYL)-2-OXOETHYL]-
6-OXO-D-LYSINE
A1HB10.77