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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00468495

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A2BJS0.7
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1QJE0.7
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BK00.7
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BLZ0.7
MLEN-METHYLLEUCINEA,D2J9A0.75
MLEN-METHYLLEUCINEC1IKF0.75
MLEN-METHYLLEUCINEA,M,N2Z6W0.75
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P
1C5F0.75
MLEN-METHYLLEUCINED,E,F1XQ70.75
MLEN-METHYLLEUCINEC1CWA0.75
MLEN-METHYLLEUCINEC1CWF0.75
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMB0.75
MLEN-METHYLLEUCINEB3CYS0.75
MLEN-METHYLLEUCINEC1CWH0.75
MLEN-METHYLLEUCINEA,B,C,D,E,F,
G,H
3BO70.75
MLEN-METHYLLEUCINEC1CYN0.75
MLEN-METHYLLEUCINEA1LV90.75
MLEN-METHYLLEUCINEC,D2OJU0.75
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMA0.75
MLEN-METHYLLEUCINEA1IKM0.75
MLEN-METHYLLEUCINEC1CWK0.75
MLEN-METHYLLEUCINEA,B2HG80.75
MLEN-METHYLLEUCINEC1CWB0.75
MLEN-METHYLLEUCINEC1CWJ0.75
MLEN-METHYLLEUCINEA1CYB0.75
MLEN-METHYLLEUCINED1QNG0.75
MLEN-METHYLLEUCINEB1MIK0.75
MLEN-METHYLLEUCINEA1CSA0.75
MLEN-METHYLLEUCINEC1CWL0.75
MLEN-METHYLLEUCINEA1CYA0.75
MLEN-METHYLLEUCINEA,B,D1MF80.75
MLEN-METHYLLEUCINEC1BCK0.75
MLEN-METHYLLEUCINEA,B,D,E,F,H1M630.75
MLEN-METHYLLEUCINEC1CWC0.75
MLEN-METHYLLEUCINEC1CWI0.75
MLEN-METHYLLEUCINEC,D1QNH0.75
MLEN-METHYLLEUCINEB,D,F,H2RMC0.75
MLEN-METHYLLEUCINEC1CWM0.75
MLEN-METHYLLEUCINET,U,V2POY0.75
MLEN-METHYLLEUCINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.75
MLEN-METHYLLEUCINEC1CWO0.75
MLEN-METHYLLEUCINEA1IKL0.75
DNGN-FORMYL-D-NORLEUCINEA,B1S4A0.72
MVAN-METHYLVALINEA209D0.73
MVAN-METHYLVALINEA,B,C,D,E,F,
G,H
3BO70.73
MVAN-METHYLVALINEC1CWH0.73
MVAN-METHYLVALINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
1UNJ0.73
MVAN-METHYLVALINEA1DSD0.73
MVAN-METHYLVALINEB1L1V0.73
MVAN-METHYLVALINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.73
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMB0.73
MVAN-METHYLVALINEC1CWO0.73
MVAN-METHYLVALINEC1CWL0.73
MVAN-METHYLVALINEB1MIK0.73
MVAN-METHYLVALINEA1CSA0.73
MVAN-METHYLVALINEC1CWM0.73
MVAN-METHYLVALINEA1PFE0.73
MVAN-METHYLVALINEA,B,D,E,F,H1M630.73
MVAN-METHYLVALINEC1CWC0.73
MVAN-METHYLVALINEB,D,F,H2RMC0.73
MVAN-METHYLVALINEC1CWK0.73
MVAN-METHYLVALINEC1CYN0.73
MVAN-METHYLVALINEC,D1MNV0.73
MVAN-METHYLVALINEC,D2OJU0.73
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMA0.73
MVAN-METHYLVALINEA1CYB0.73
MVAN-METHYLVALINED1QNG0.73
MVAN-METHYLVALINEA,C,E,G2ADW0.73
MVAN-METHYLVALINEC1CWB0.73
MVAN-METHYLVALINEA,B,C,D,E,F1UNM0.73
MVAN-METHYLVALINEA,B1OVF0.73
MVAN-METHYLVALINEA,B185D0.73
MVAN-METHYLVALINEA1XVK0.73
MVAN-METHYLVALINEA,C1XVR0.73
MVAN-METHYLVALINEA,B173D0.73
MVAN-METHYLVALINEA,B1FJA0.73
MVAN-METHYLVALINEB3CYS0.73
MVAN-METHYLVALINEA,B,C1A7Y0.73
MVAN-METHYLVALINEA,B,C1L5G0.73
MVAN-METHYLVALINEA,B,C,D1I3W0.73
MVAN-METHYLVALINEA316D0.73
MVAN-METHYLVALINEA1XVN0.73
MVAN-METHYLVALINEC1IKF0.73
MVAN-METHYLVALINEA,M,N2Z6W0.73
MVAN-METHYLVALINEA,B,C1QFI0.73
MVAN-METHYLVALINEA,B3GO30.73
MVAN-METHYLVALINEC1CWA0.73
MVAN-METHYLVALINEC1CWF0.73
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P
1C5F0.73
MVAN-METHYLVALINED,E,F1XQ70.73
MVAN-METHYLVALINEA1CYA0.73
MVAN-METHYLVALINEA,B,D1MF80.73
MVAN-METHYLVALINEA,B1A7Z0.73
MVAN-METHYLVALINEA1DSC0.73
MVAN-METHYLVALINET,U,V2POY0.73
MVAN-METHYLVALINEA2D550.73
MVAN-METHYLVALINEC1BCK0.73
MVAN-METHYLVALINEC1CWI0.73
MVAN-METHYLVALINEC,D1QNH0.73
MVAN-METHYLVALINEA1VS20.73
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE
A1IKI0.73
NCBN-CARBAMOYL-ALANINEA,B,C,D,E,F,
G,H,I,J
1QMV0.75
DNMN-METHYL-D-NORLEUCINEA,B1S1O0.7
DNMN-METHYL-D-NORLEUCINEA,B1S4A0.7
DNMN-METHYL-D-NORLEUCINEA1R9V0.7
NC3N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINEP1ZD20.8
CDT4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACIDA,B1UF50.7
BG45-(HYDROXY-METHYL-AMINO)-3-METHYL-
PYRROLIDINE-2-CARBOXYLIC ACID
A1TV30.73
MCP2-CARBOXY-4-METHYLPIPERIDINEH1ETR0.73
BG55-HYDROXYAMINO-3-METHYL-PYRROLIDINE-
2-CARBOXYLIC ACID
A1TV20.73
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B2J9P0.75
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B,C,D2VGK0.75
NC44-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACIDA1ZD30.78
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.76
NSKN-SUCCINYL LYSINEA2P8B0.7
AAGN-ALPHA-L-ACETYL-ARGININEA1DRY0.72
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.72
MLZN-METHYL-LYSINEA,B,I,J2PXJ0.7
MLZN-METHYL-LYSINEA,B,E,F1XQH0.7
MLZN-METHYL-LYSINEA,B,C,D2G460.7
MLZN-METHYL-LYSINED2B2V0.7
MLZN-METHYL-LYSINEA,B3CBM0.7
MLZN-METHYL-LYSINEA,B,C,D2OT70.7
MLZN-METHYL-LYSINEA,B,E,F3F9Y0.7
MLZN-METHYL-LYSINEP1Q3L0.7
MLZN-METHYL-LYSINEA,B,E,F2BQZ0.7
MLZN-METHYL-LYSINEA2RHY0.7
MLZN-METHYL-LYSINEA,B2F690.7
MLZN-METHYL-LYSINEA2R5A0.7
MLZN-METHYL-LYSINEA,B3F700.7
MLZN-METHYL-LYSINEA,B,C2H2J0.7
MLZN-METHYL-LYSINEC,D2H6K0.7
MLZN-METHYL-LYSINEA3EPQ0.7
MLZN-METHYL-LYSINEA,B2QNU0.7
MLZN-METHYL-LYSINEA,B,C,D3HHL0.7
MLZN-METHYL-LYSINEA1IV80.7
MLZN-METHYL-LYSINEA1XER0.7
MLZN-METHYL-LYSINEB,D2H9N0.7
MLZN-METHYL-LYSINEL2R5M0.7
MLZN-METHYL-LYSINEA3E3X0.7
MLZN-METHYL-LYSINEA,B2VYT0.7
MLZN-METHYL-LYSINEA,B,K,L1O9S0.7
MLZN-METHYL-LYSINEA,B,C1P0Y0.7
MLZN-METHYL-LYSINEA,B3CBO0.7
IMLN-METHYL-ISOLEUCINEC1CWM0.75
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B1O5K0.72
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B3CPR0.72
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B2VC60.72
C6LN-hexanoyl-L-homoserineA3DHA0.7
C6LN-hexanoyl-L-homoserineA3DHB0.7
X7O5-AMINO-3-METHYL-PYRROLIDINE-2-
CARBOXYLIC ACID
A1L2Q0.76
OLN(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACIDA1YH10.76
CIRCITRULLINEA,B,C,D1J210.74
CIRCITRULLINEB1KOD0.74
CIRCITRULLINEA,B,C3B3I0.74
CIRCITRULLINEC3DTX0.74
CIRCITRULLINEA2C6Z0.74
CIRCITRULLINEA,C,E,F2W650.74
CIRCITRULLINEA,B2JAI0.74
CIRCITRULLINEP3FT20.74
CIRCITRULLINEA,B,C,D1J1Z0.74
CIRCITRULLINEA,B1LXY0.74
CIRCITRULLINEF,H1OL10.74
CIRCITRULLINEA1KP30.74
CIRCITRULLINEA2NZ20.74
CIRCITRULLINEA1H700.74
CIRCITRULLINEA1K970.74
CIRCITRULLINEC3B6S0.74
DTB6-(5-METHYL-2-OXO-IMIDAZOLIDIN-
4-YL)-HEXANOIC ACID
A,B1R300.72
DTB6-(5-METHYL-2-OXO-IMIDAZOLIDIN-
4-YL)-HEXANOIC ACID
A1DAM0.72
DTB6-(5-METHYL-2-OXO-IMIDAZOLIDIN-
4-YL)-HEXANOIC ACID
A,B,C,D3FPA0.72
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE
A1IKG0.72
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z260.71
NCDN-CARBAMOYL-L-ASPARTATEA,B1J790.71
NCDN-CARBAMOYL-L-ASPARTATEA,B1XGE0.71
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z290.71
NCDN-CARBAMOYL-L-ASPARTATEA,B,G,H1R0C0.71
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z270.71
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z280.71
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z2A0.71
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z240.71
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z250.71
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.81
0AGN-(ethoxycarbonyl)-L-leucineI,J1PSA0.76
NC77-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEPTANOIC ACIDA1ZD50.75
TMD(6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N-
DIMETHYL-THREONINE
C1CWK0.71
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.72
AN0N-ACETYL-L-NORVALINEA1ZQ80.72
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.84
LDHN~6~-ETHYL-L-LYSINEA,K2IOF0.71
LBYN~6~-(TERT-BUTOXYCARBONYL)-L-LYSINEA2ZIN0.71
NC66-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACIDA1ZD40.75
ALYN(6)-ACETYLLYSINEA,B2B4D0.74
ALYN(6)-ACETYLLYSINEA,B2OD90.74
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVR0.74
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVS0.74
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVQ0.74
ALYN(6)-ACETYLLYSINEA,B,C,D2OT70.74
ALYN(6)-ACETYLLYSINEA,B2B5G0.74
ALYN(6)-ACETYLLYSINEA2GIV0.74
ALYN(6)-ACETYLLYSINEB2RNY0.74
ALYN(6)-ACETYLLYSINEA1JSP0.74
ALYN(6)-ACETYLLYSINEA,B,I,L2V5W0.74
ALYN(6)-ACETYLLYSINEA,D3D4B0.74
ALYN(6)-ACETYLLYSINEA,B,C,D2OQ60.74
ALYN(6)-ACETYLLYSINEA,B2R0Y0.74
ALYN(6)-ACETYLLYSINEA3CZ70.74
ALYN(6)-ACETYLLYSINEA1JM40.74
ALYN(6)-ACETYLLYSINEA,B2H4H0.74
ALYN(6)-ACETYLLYSINEA,B2J6V0.74
ALYN(6)-ACETYLLYSINEA,B2R100.74
ALYN(6)-ACETYLLYSINEA,B1YC50.74
ALYN(6)-ACETYLLYSINEA,B,C,D2OX00.74
ALYN(6)-ACETYLLYSINEA,B2H2G0.74
ALYN(6)-ACETYLLYSINEA,D2H4F0.74
ALYN(6)-ACETYLLYSINEA2OU20.74
ALYN(6)-ACETYLLYSINEA,B1S5P0.74
ALYN(6)-ACETYLLYSINEB2RNW0.74
ALYN(6)-ACETYLLYSINEA3D350.74
ALYN(6)-ACETYLLYSINEA,B2OD20.74
ALYN(6)-ACETYLLYSINEA2ZFN0.74
ALYN(6)-ACETYLLYSINEC,D2C1J0.74
ALYN(6)-ACETYLLYSINEA,B2QQG0.74
ALYN(6)-ACETYLLYSINEB2RNX0.74
ALYN(6)-ACETYLLYSINEA,B1MA30.74
ALYN(6)-ACETYLLYSINEA,B2H2H0.74
ALYN(6)-ACETYLLYSINEA2I2Z0.74
ALYN(6)-ACETYLLYSINEA,B2OD70.74
ALYN(6)-ACETYLLYSINEP1E6I0.74
ALYN(6)-ACETYLLYSINEA,B1SZC0.74
ALYN(6)-ACETYLLYSINEA,B,C,D,I,J,
K,L
3EWF0.74
ALYN(6)-ACETYLLYSINEA,B2H2D0.74
ALYN(6)-ACETYLLYSINEA,B1Q1A0.74
ALYN(6)-ACETYLLYSINEA,B1SZD0.74
ALYN(6)-ACETYLLYSINEQ,R2E3K0.74
ALYN(6)-ACETYLLYSINEA2OZU0.74
ALYN(6)-ACETYLLYSINEA,B2QQF0.74
ALYN(6)-ACETYLLYSINEA,B,C2R0V0.74
CYKN-hexanoyl-L-homocysteineA3DHC0.71