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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01857639

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MUDN-{[(1R)-1-carboxy-2-(methylsulfanyl)ethyl]carbamoyl}-
L-glutamic acid
A3D7G0.7
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z260.75
NCDN-CARBAMOYL-L-ASPARTATEA,B1J790.75
NCDN-CARBAMOYL-L-ASPARTATEA,B1XGE0.75
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z290.75
NCDN-CARBAMOYL-L-ASPARTATEA,B,G,H1R0C0.75
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z270.75
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z280.75
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z2A0.75
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z240.75
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z250.75
NC44-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACIDA1ZD30.73
MLEN-METHYLLEUCINEA,D2J9A0.74
MLEN-METHYLLEUCINEC1IKF0.74
MLEN-METHYLLEUCINEA,M,N2Z6W0.74
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P
1C5F0.74
MLEN-METHYLLEUCINED,E,F1XQ70.74
MLEN-METHYLLEUCINEC1CWA0.74
MLEN-METHYLLEUCINEC1CWF0.74
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMB0.74
MLEN-METHYLLEUCINEB3CYS0.74
MLEN-METHYLLEUCINEC1CWH0.74
MLEN-METHYLLEUCINEA,B,C,D,E,F,
G,H
3BO70.74
MLEN-METHYLLEUCINEC1CYN0.74
MLEN-METHYLLEUCINEA1LV90.74
MLEN-METHYLLEUCINEC,D2OJU0.74
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMA0.74
MLEN-METHYLLEUCINEA1IKM0.74
MLEN-METHYLLEUCINEC1CWK0.74
MLEN-METHYLLEUCINEA,B2HG80.74
MLEN-METHYLLEUCINEC1CWB0.74
MLEN-METHYLLEUCINEC1CWJ0.74
MLEN-METHYLLEUCINEA1CYB0.74
MLEN-METHYLLEUCINED1QNG0.74
MLEN-METHYLLEUCINEB1MIK0.74
MLEN-METHYLLEUCINEA1CSA0.74
MLEN-METHYLLEUCINEC1CWL0.74
MLEN-METHYLLEUCINEA1CYA0.74
MLEN-METHYLLEUCINEA,B,D1MF80.74
MLEN-METHYLLEUCINEC1BCK0.74
MLEN-METHYLLEUCINEA,B,D,E,F,H1M630.74
MLEN-METHYLLEUCINEC1CWC0.74
MLEN-METHYLLEUCINEC1CWI0.74
MLEN-METHYLLEUCINEC,D1QNH0.74
MLEN-METHYLLEUCINEB,D,F,H2RMC0.74
MLEN-METHYLLEUCINEC1CWM0.74
MLEN-METHYLLEUCINET,U,V2POY0.74
MLEN-METHYLLEUCINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.74
MLEN-METHYLLEUCINEC1CWO0.74
MLEN-METHYLLEUCINEA1IKL0.74
X7O5-AMINO-3-METHYL-PYRROLIDINE-2-
CARBOXYLIC ACID
A1L2Q0.72
0AGN-(ethoxycarbonyl)-L-leucineI,J1PSA0.75
NC3N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINEP1ZD20.82
AYAN-ACETYLALANINEA1D0W0.75
AYAN-ACETYLALANINEA1AH40.75
AYAN-ACETYLALANINEA,B1VBP0.75
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1J4T0.75
AYAN-ACETYLALANINEA,B,C,D1OUW0.75
AYAN-ACETYLALANINEA1AH30.75
AYAN-ACETYLALANINEA1EKO0.75
AYAN-ACETYLALANINEB,D,F,H2V4I0.75
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1VBO0.75
AYAN-ACETYLALANINEA,B,C,D1J4U0.75
NCBN-CARBAMOYL-ALANINEA,B,C,D,E,F,
G,H,I,J
1QMV0.85
MAAN-METHYLALANINEA,B1A7Z0.73
MAAN-METHYLALANINEA,B2VSL0.73
MAAN-METHYLALANINEC1CWI0.73
MAAN-METHYLALANINEC,F,G,H3DW80.73
MAAN-METHYLALANINEA,B,C,D,E,F,
G,H
2NYL0.73
MAAN-METHYLALANINED1D5X0.73
MAAN-METHYLALANINEC1PYW0.73
MAAN-METHYLALANINEA,B,C,D,E,F,
G,H
2NYM0.73
MAAN-METHYLALANINEC,I2IE30.73
MAAN-METHYLALANINEC,F,X,Y2NPP0.73
AAGN-ALPHA-L-ACETYL-ARGININEA1DRY0.71
URPN-(AMINOCARBONYL)-BETA-ALANINEA,B,C,D2V8V0.72
URPN-(AMINOCARBONYL)-BETA-ALANINEA,B,C,D2FVM0.72
URPN-(AMINOCARBONYL)-BETA-ALANINEA,B,C,D2V8H0.72
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.71
CDT4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACIDA,B1UF50.74
NC66-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACIDA1ZD40.71
MVAN-METHYLVALINEA209D0.77
MVAN-METHYLVALINEA,B,C,D,E,F,
G,H
3BO70.77
MVAN-METHYLVALINEC1CWH0.77
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
1UNJ0.77
MVAN-METHYLVALINEA1DSD0.77
MVAN-METHYLVALINEB1L1V0.77
MVAN-METHYLVALINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.77
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMB0.77
MVAN-METHYLVALINEC1CWO0.77
MVAN-METHYLVALINEC1CWL0.77
MVAN-METHYLVALINEB1MIK0.77
MVAN-METHYLVALINEA1CSA0.77
MVAN-METHYLVALINEC1CWM0.77
MVAN-METHYLVALINEA1PFE0.77
MVAN-METHYLVALINEA,B,D,E,F,H1M630.77
MVAN-METHYLVALINEC1CWC0.77
MVAN-METHYLVALINEB,D,F,H2RMC0.77
MVAN-METHYLVALINEC1CWK0.77
MVAN-METHYLVALINEC1CYN0.77
MVAN-METHYLVALINEC,D1MNV0.77
MVAN-METHYLVALINEC,D2OJU0.77
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMA0.77
MVAN-METHYLVALINEA1CYB0.77
MVAN-METHYLVALINED1QNG0.77
MVAN-METHYLVALINEA,C,E,G2ADW0.77
MVAN-METHYLVALINEC1CWB0.77
MVAN-METHYLVALINEA,B,C,D,E,F1UNM0.77
MVAN-METHYLVALINEA,B1OVF0.77
MVAN-METHYLVALINEA,B185D0.77
MVAN-METHYLVALINEA1XVK0.77
MVAN-METHYLVALINEA,C1XVR0.77
MVAN-METHYLVALINEA,B173D0.77
MVAN-METHYLVALINEA,B1FJA0.77
MVAN-METHYLVALINEB3CYS0.77
MVAN-METHYLVALINEA,B,C1A7Y0.77
MVAN-METHYLVALINEA,B,C1L5G0.77
MVAN-METHYLVALINEA,B,C,D1I3W0.77
MVAN-METHYLVALINEA316D0.77
MVAN-METHYLVALINEA1XVN0.77
MVAN-METHYLVALINEC1IKF0.77
MVAN-METHYLVALINEA,M,N2Z6W0.77
MVAN-METHYLVALINEA,B,C1QFI0.77
MVAN-METHYLVALINEA,B3GO30.77
MVAN-METHYLVALINEC1CWA0.77
MVAN-METHYLVALINEC1CWF0.77
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P
1C5F0.77
MVAN-METHYLVALINED,E,F1XQ70.77
MVAN-METHYLVALINEA1CYA0.77
MVAN-METHYLVALINEA,B,D1MF80.77
MVAN-METHYLVALINEA,B1A7Z0.77
MVAN-METHYLVALINEA1DSC0.77
MVAN-METHYLVALINET,U,V2POY0.77
MVAN-METHYLVALINEA2D550.77
MVAN-METHYLVALINEC1BCK0.77
MVAN-METHYLVALINEC1CWI0.77
MVAN-METHYLVALINEC,D1QNH0.77
MVAN-METHYLVALINEA1VS20.77
NXAN-CARBOXYALANINEA2IUX0.74
NXAN-CARBOXYALANINEA1O8A0.74
1753,5-DIHYDRO-5-METHYLIDENE-4H-IMIDAZOL-
4-ON
A,B,C,D,E,F,
G,H
1T6P0.75
1753,5-DIHYDRO-5-METHYLIDENE-4H-IMIDAZOL-
4-ON
A,B1T6J0.75
OLN(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACIDA1YH10.75
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.73
AN0N-ACETYL-L-NORVALINEA1ZQ80.73
IMLN-METHYL-ISOLEUCINEC1CWM0.74
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.89
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.71
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.72
CIRCITRULLINEA,B,C,D1J210.72
CIRCITRULLINEB1KOD0.72
CIRCITRULLINEA,B,C3B3I0.72
CIRCITRULLINEC3DTX0.72
CIRCITRULLINEA2C6Z0.72
CIRCITRULLINEA,C,E,F2W650.72
CIRCITRULLINEA,B2JAI0.72
CIRCITRULLINEP3FT20.72
CIRCITRULLINEA,B,C,D1J1Z0.72
CIRCITRULLINEA,B1LXY0.72
CIRCITRULLINEF,H1OL10.72
CIRCITRULLINEA1KP30.72
CIRCITRULLINEA2NZ20.72
CIRCITRULLINEA1H700.72
CIRCITRULLINEA1K970.72
CIRCITRULLINEC3B6S0.72