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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03396676

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NC44-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACIDA1ZD30.73
NXAN-CARBOXYALANINEA2IUX0.7
NXAN-CARBOXYALANINEA1O8A0.7
0AGN-(ethoxycarbonyl)-L-leucineI,J1PSA0.74
CPC2-METHYL-1-METHYLAMINO-CYCLOPROPANE CARBOXYLIC ACIDC,D193D0.73
MLEN-METHYLLEUCINEA,D2J9A0.73
MLEN-METHYLLEUCINEC1IKF0.73
MLEN-METHYLLEUCINEA,M,N2Z6W0.73
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P
1C5F0.73
MLEN-METHYLLEUCINED,E,F1XQ70.73
MLEN-METHYLLEUCINEC1CWA0.73
MLEN-METHYLLEUCINEC1CWF0.73
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMB0.73
MLEN-METHYLLEUCINEB3CYS0.73
MLEN-METHYLLEUCINEC1CWH0.73
MLEN-METHYLLEUCINEA,B,C,D,E,F,
G,H
3BO70.73
MLEN-METHYLLEUCINEC1CYN0.73
MLEN-METHYLLEUCINEA1LV90.73
MLEN-METHYLLEUCINEC,D2OJU0.73
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMA0.73
MLEN-METHYLLEUCINEA1IKM0.73
MLEN-METHYLLEUCINEC1CWK0.73
MLEN-METHYLLEUCINEA,B2HG80.73
MLEN-METHYLLEUCINEC1CWB0.73
MLEN-METHYLLEUCINEC1CWJ0.73
MLEN-METHYLLEUCINEA1CYB0.73
MLEN-METHYLLEUCINED1QNG0.73
MLEN-METHYLLEUCINEB1MIK0.73
MLEN-METHYLLEUCINEA1CSA0.73
MLEN-METHYLLEUCINEC1CWL0.73
MLEN-METHYLLEUCINEA1CYA0.73
MLEN-METHYLLEUCINEA,B,D1MF80.73
MLEN-METHYLLEUCINEC1BCK0.73
MLEN-METHYLLEUCINEA,B,D,E,F,H1M630.73
MLEN-METHYLLEUCINEC1CWC0.73
MLEN-METHYLLEUCINEC1CWI0.73
MLEN-METHYLLEUCINEC,D1QNH0.73
MLEN-METHYLLEUCINEB,D,F,H2RMC0.73
MLEN-METHYLLEUCINEC1CWM0.73
MLEN-METHYLLEUCINET,U,V2POY0.73
MLEN-METHYLLEUCINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.73
MLEN-METHYLLEUCINEC1CWO0.73
MLEN-METHYLLEUCINEA1IKL0.73
NC66-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACIDA1ZD40.71
OLN(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACIDA1YH10.74
CIRCITRULLINEA,B,C,D1J210.71
CIRCITRULLINEB1KOD0.71
CIRCITRULLINEA,B,C3B3I0.71
CIRCITRULLINEC3DTX0.71
CIRCITRULLINEA2C6Z0.71
CIRCITRULLINEA,C,E,F2W650.71
CIRCITRULLINEA,B2JAI0.71
CIRCITRULLINEP3FT20.71
CIRCITRULLINEA,B,C,D1J1Z0.71
CIRCITRULLINEA,B1LXY0.71
CIRCITRULLINEF,H1OL10.71
CIRCITRULLINEA1KP30.71
CIRCITRULLINEA2NZ20.71
CIRCITRULLINEA1H700.71
CIRCITRULLINEA1K970.71
CIRCITRULLINEC3B6S0.71
AYAN-ACETYLALANINEA1D0W0.72
AYAN-ACETYLALANINEA1AH40.72
AYAN-ACETYLALANINEA,B1VBP0.72
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1J4T0.72
AYAN-ACETYLALANINEA,B,C,D1OUW0.72
AYAN-ACETYLALANINEA1AH30.72
AYAN-ACETYLALANINEA1EKO0.72
AYAN-ACETYLALANINEB,D,F,H2V4I0.72
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1VBO0.72
AYAN-ACETYLALANINEA,B,C,D1J4U0.72
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.71
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z260.77
NCDN-CARBAMOYL-L-ASPARTATEA,B1J790.77
NCDN-CARBAMOYL-L-ASPARTATEA,B1XGE0.77
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z290.77
NCDN-CARBAMOYL-L-ASPARTATEA,B,G,H1R0C0.77
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z270.77
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z280.77
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z2A0.77
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z240.77
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z250.77
IMLN-METHYL-ISOLEUCINEC1CWM0.73
X7O5-AMINO-3-METHYL-PYRROLIDINE-2-
CARBOXYLIC ACID
A1L2Q0.71
1753,5-DIHYDRO-5-METHYLIDENE-4H-IMIDAZOL-
4-ON
A,B,C,D,E,F,
G,H
1T6P0.71
1753,5-DIHYDRO-5-METHYLIDENE-4H-IMIDAZOL-
4-ON
A,B1T6J0.71
NC3N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINEP1ZD20.75
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.91
AAGN-ALPHA-L-ACETYL-ARGININEA1DRY0.7
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.7
CDT4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACIDA,B1UF50.76
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.71
MVAN-METHYLVALINEA209D0.79
MVAN-METHYLVALINEA,B,C,D,E,F,
G,H
3BO70.79
MVAN-METHYLVALINEC1CWH0.79
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
1UNJ0.79
MVAN-METHYLVALINEA1DSD0.79
MVAN-METHYLVALINEB1L1V0.79
MVAN-METHYLVALINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.79
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMB0.79
MVAN-METHYLVALINEC1CWO0.79
MVAN-METHYLVALINEC1CWL0.79
MVAN-METHYLVALINEB1MIK0.79
MVAN-METHYLVALINEA1CSA0.79
MVAN-METHYLVALINEC1CWM0.79
MVAN-METHYLVALINEA1PFE0.79
MVAN-METHYLVALINEA,B,D,E,F,H1M630.79
MVAN-METHYLVALINEC1CWC0.79
MVAN-METHYLVALINEB,D,F,H2RMC0.79
MVAN-METHYLVALINEC1CWK0.79
MVAN-METHYLVALINEC1CYN0.79
MVAN-METHYLVALINEC,D1MNV0.79
MVAN-METHYLVALINEC,D2OJU0.79
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMA0.79
MVAN-METHYLVALINEA1CYB0.79
MVAN-METHYLVALINED1QNG0.79
MVAN-METHYLVALINEA,C,E,G2ADW0.79
MVAN-METHYLVALINEC1CWB0.79
MVAN-METHYLVALINEA,B,C,D,E,F1UNM0.79
MVAN-METHYLVALINEA,B1OVF0.79
MVAN-METHYLVALINEA,B185D0.79
MVAN-METHYLVALINEA1XVK0.79
MVAN-METHYLVALINEA,C1XVR0.79
MVAN-METHYLVALINEA,B173D0.79
MVAN-METHYLVALINEA,B1FJA0.79
MVAN-METHYLVALINEB3CYS0.79
MVAN-METHYLVALINEA,B,C1A7Y0.79
MVAN-METHYLVALINEA,B,C1L5G0.79
MVAN-METHYLVALINEA,B,C,D1I3W0.79
MVAN-METHYLVALINEA316D0.79
MVAN-METHYLVALINEA1XVN0.79
MVAN-METHYLVALINEC1IKF0.79
MVAN-METHYLVALINEA,M,N2Z6W0.79
MVAN-METHYLVALINEA,B,C1QFI0.79
MVAN-METHYLVALINEA,B3GO30.79
MVAN-METHYLVALINEC1CWA0.79
MVAN-METHYLVALINEC1CWF0.79
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P
1C5F0.79
MVAN-METHYLVALINED,E,F1XQ70.79
MVAN-METHYLVALINEA1CYA0.79
MVAN-METHYLVALINEA,B,D1MF80.79
MVAN-METHYLVALINEA,B1A7Z0.79
MVAN-METHYLVALINEA1DSC0.79
MVAN-METHYLVALINET,U,V2POY0.79
MVAN-METHYLVALINEA2D550.79
MVAN-METHYLVALINEC1BCK0.79
MVAN-METHYLVALINEC1CWI0.79
MVAN-METHYLVALINEC,D1QNH0.79
MVAN-METHYLVALINEA1VS20.79
NCBN-CARBAMOYL-ALANINEA,B,C,D,E,F,
G,H,I,J
1QMV0.81
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.72
AN0N-ACETYL-L-NORVALINEA1ZQ80.72