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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01242702

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
0AGN-(ethoxycarbonyl)-L-leucineI,J1PSA0.85
DZEmethyl (3S)-3-[(tert-butoxycarbonyl)amino]-
4-oxopentanoate
A,B,C,D3GJR0.7
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.74
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.74
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.74
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.74
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.74
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.74
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.74
IMLN-METHYL-ISOLEUCINEC1CWM0.73
BG1O-[(2S)-2-{methyl[(methylamino)sulfonyl]amino}pentanoyl]-
L-serine
A2RG30.7
MLLMETHYL L-LEUCINATEC,F,M,N2IAE0.75
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B2J9P0.71
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B,C,D2VGK0.71
DNGN-FORMYL-D-NORLEUCINEA,B1S4A0.71
IVS3-HYDROXY-6-METHYL-4-(3-METHYL-
2-(3-METHYL-2-(3-METHYL-BUTYRYLAMINO)-
BUTYRYLAMINO)-BUTYRYLAMINO)-HEPTANOIC ACID ETHYL ESTER
A,B1ME60.7
59AN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCINE
A2DC80.72
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.74
RO4[[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL-
BUTYL]-CARBONYL-LEUCINYL]-ALANINE ETHYL ESTER
A2TCL0.76
OHNN-3-OXO-DODECANOYL-L-HOMOSERINE LACTONEE,F,G,H2UV00.72
NLGN-ACETYL-L-GLUTAMATEA1OH90.71
NLGN-ACETYL-L-GLUTAMATEA1OHA0.71
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,I,J,K,L
2BUF0.71
NLGN-ACETYL-L-GLUTAMATEA,B,C,D2RD50.71
NLGN-ACETYL-L-GLUTAMATEA,B2JJ40.71
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,J,K
2V5H0.71
NLGN-ACETYL-L-GLUTAMATEA1GSJ0.71
NLGN-ACETYL-L-GLUTAMATEA3B8G0.71
NLGN-ACETYL-L-GLUTAMATEA1GS50.71
NLGN-ACETYL-L-GLUTAMATEA,B,C2BTY0.71
ALYN(6)-ACETYLLYSINEA,B2B4D0.72
ALYN(6)-ACETYLLYSINEA,B2OD90.72
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVR0.72
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVS0.72
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVQ0.72
ALYN(6)-ACETYLLYSINEA,B,C,D2OT70.72
ALYN(6)-ACETYLLYSINEA,B2B5G0.72
ALYN(6)-ACETYLLYSINEA2GIV0.72
ALYN(6)-ACETYLLYSINEB2RNY0.72
ALYN(6)-ACETYLLYSINEA1JSP0.72
ALYN(6)-ACETYLLYSINEA,B,I,L2V5W0.72
ALYN(6)-ACETYLLYSINEA,D3D4B0.72
ALYN(6)-ACETYLLYSINEA,B,C,D2OQ60.72
ALYN(6)-ACETYLLYSINEA,B2R0Y0.72
ALYN(6)-ACETYLLYSINEA3CZ70.72
ALYN(6)-ACETYLLYSINEA1JM40.72
ALYN(6)-ACETYLLYSINEA,B2H4H0.72
ALYN(6)-ACETYLLYSINEA,B2J6V0.72
ALYN(6)-ACETYLLYSINEA,B2R100.72
ALYN(6)-ACETYLLYSINEA,B1YC50.72
ALYN(6)-ACETYLLYSINEA,B,C,D2OX00.72
ALYN(6)-ACETYLLYSINEA,B2H2G0.72
ALYN(6)-ACETYLLYSINEA,D2H4F0.72
ALYN(6)-ACETYLLYSINEA2OU20.72
ALYN(6)-ACETYLLYSINEA,B1S5P0.72
ALYN(6)-ACETYLLYSINEB2RNW0.72
ALYN(6)-ACETYLLYSINEA3D350.72
ALYN(6)-ACETYLLYSINEA,B2OD20.72
ALYN(6)-ACETYLLYSINEA2ZFN0.72
ALYN(6)-ACETYLLYSINEC,D2C1J0.72
ALYN(6)-ACETYLLYSINEA,B2QQG0.72
ALYN(6)-ACETYLLYSINEB2RNX0.72
ALYN(6)-ACETYLLYSINEA,B1MA30.72
ALYN(6)-ACETYLLYSINEA,B2H2H0.72
ALYN(6)-ACETYLLYSINEA2I2Z0.72
ALYN(6)-ACETYLLYSINEA,B2OD70.72
ALYN(6)-ACETYLLYSINEP1E6I0.72
ALYN(6)-ACETYLLYSINEA,B1SZC0.72
ALYN(6)-ACETYLLYSINEA,B,C,D,I,J,
K,L
3EWF0.72
ALYN(6)-ACETYLLYSINEA,B2H2D0.72
ALYN(6)-ACETYLLYSINEA,B1Q1A0.72
ALYN(6)-ACETYLLYSINEA,B1SZD0.72
ALYN(6)-ACETYLLYSINEQ,R2E3K0.72
ALYN(6)-ACETYLLYSINEA2OZU0.72
ALYN(6)-ACETYLLYSINEA,B2QQF0.72
ALYN(6)-ACETYLLYSINEA,B,C2R0V0.72
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.78
AN0N-ACETYL-L-NORVALINEA1ZQ80.78
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.73
LAE3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-
FURAN-3-YL)-AMIDE
A,B,C,D1L3L0.73
LAE3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-
FURAN-3-YL)-AMIDE
A,B2Q0O0.73
MLEN-METHYLLEUCINEA,D2J9A0.76
MLEN-METHYLLEUCINEC1IKF0.76
MLEN-METHYLLEUCINEA,M,N2Z6W0.76
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P
1C5F0.76
MLEN-METHYLLEUCINED,E,F1XQ70.76
MLEN-METHYLLEUCINEC1CWA0.76
MLEN-METHYLLEUCINEC1CWF0.76
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMB0.76
MLEN-METHYLLEUCINEB3CYS0.76
MLEN-METHYLLEUCINEC1CWH0.76
MLEN-METHYLLEUCINEA,B,C,D,E,F,
G,H
3BO70.76
MLEN-METHYLLEUCINEC1CYN0.76
MLEN-METHYLLEUCINEA1LV90.76
MLEN-METHYLLEUCINEC,D2OJU0.76
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMA0.76
MLEN-METHYLLEUCINEA1IKM0.76
MLEN-METHYLLEUCINEC1CWK0.76
MLEN-METHYLLEUCINEA,B2HG80.76
MLEN-METHYLLEUCINEC1CWB0.76
MLEN-METHYLLEUCINEC1CWJ0.76
MLEN-METHYLLEUCINEA1CYB0.76
MLEN-METHYLLEUCINED1QNG0.76
MLEN-METHYLLEUCINEB1MIK0.76
MLEN-METHYLLEUCINEA1CSA0.76
MLEN-METHYLLEUCINEC1CWL0.76
MLEN-METHYLLEUCINEA1CYA0.76
MLEN-METHYLLEUCINEA,B,D1MF80.76
MLEN-METHYLLEUCINEC1BCK0.76
MLEN-METHYLLEUCINEA,B,D,E,F,H1M630.76
MLEN-METHYLLEUCINEC1CWC0.76
MLEN-METHYLLEUCINEC1CWI0.76
MLEN-METHYLLEUCINEC,D1QNH0.76
MLEN-METHYLLEUCINEB,D,F,H2RMC0.76
MLEN-METHYLLEUCINEC1CWM0.76
MLEN-METHYLLEUCINET,U,V2POY0.76
MLEN-METHYLLEUCINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.76
MLEN-METHYLLEUCINEC1CWO0.76
MLEN-METHYLLEUCINEA1IKL0.76
C6LN-hexanoyl-L-homoserineA3DHA0.73
C6LN-hexanoyl-L-homoserineA3DHB0.73
INC2-(ACETYL-HYDROXY-AMINO)-4-METHYL-
PENTANOIC ACID METHYL ESTER
A7TLN0.82
HTFN-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDEA2AVX0.79
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PPP0.7
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PE60.7
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1ITO0.7