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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00453025

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ALYN(6)-ACETYLLYSINEA,B2B4D0.71
ALYN(6)-ACETYLLYSINEA,B2OD90.71
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVR0.71
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVS0.71
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVQ0.71
ALYN(6)-ACETYLLYSINEA,B,C,D2OT70.71
ALYN(6)-ACETYLLYSINEA,B2B5G0.71
ALYN(6)-ACETYLLYSINEA2GIV0.71
ALYN(6)-ACETYLLYSINEB2RNY0.71
ALYN(6)-ACETYLLYSINEA1JSP0.71
ALYN(6)-ACETYLLYSINEA,B,I,L2V5W0.71
ALYN(6)-ACETYLLYSINEA,D3D4B0.71
ALYN(6)-ACETYLLYSINEA,B,C,D2OQ60.71
ALYN(6)-ACETYLLYSINEA,B2R0Y0.71
ALYN(6)-ACETYLLYSINEA3CZ70.71
ALYN(6)-ACETYLLYSINEA1JM40.71
ALYN(6)-ACETYLLYSINEA,B2H4H0.71
ALYN(6)-ACETYLLYSINEA,B2J6V0.71
ALYN(6)-ACETYLLYSINEA,B2R100.71
ALYN(6)-ACETYLLYSINEA,B1YC50.71
ALYN(6)-ACETYLLYSINEA,B,C,D2OX00.71
ALYN(6)-ACETYLLYSINEA,B2H2G0.71
ALYN(6)-ACETYLLYSINEA,D2H4F0.71
ALYN(6)-ACETYLLYSINEA2OU20.71
ALYN(6)-ACETYLLYSINEA,B1S5P0.71
ALYN(6)-ACETYLLYSINEB2RNW0.71
ALYN(6)-ACETYLLYSINEA3D350.71
ALYN(6)-ACETYLLYSINEA,B2OD20.71
ALYN(6)-ACETYLLYSINEA2ZFN0.71
ALYN(6)-ACETYLLYSINEC,D2C1J0.71
ALYN(6)-ACETYLLYSINEA,B2QQG0.71
ALYN(6)-ACETYLLYSINEB2RNX0.71
ALYN(6)-ACETYLLYSINEA,B1MA30.71
ALYN(6)-ACETYLLYSINEA,B2H2H0.71
ALYN(6)-ACETYLLYSINEA2I2Z0.71
ALYN(6)-ACETYLLYSINEA,B2OD70.71
ALYN(6)-ACETYLLYSINEP1E6I0.71
ALYN(6)-ACETYLLYSINEA,B1SZC0.71
ALYN(6)-ACETYLLYSINEA,B,C,D,I,J,
K,L
3EWF0.71
ALYN(6)-ACETYLLYSINEA,B2H2D0.71
ALYN(6)-ACETYLLYSINEA,B1Q1A0.71
ALYN(6)-ACETYLLYSINEA,B1SZD0.71
ALYN(6)-ACETYLLYSINEQ,R2E3K0.71
ALYN(6)-ACETYLLYSINEA2OZU0.71
ALYN(6)-ACETYLLYSINEA,B2QQF0.71
ALYN(6)-ACETYLLYSINEA,B,C2R0V0.71
NCBN-CARBAMOYL-ALANINEA,B,C,D,E,F,
G,H,I,J
1QMV0.84
AYAN-ACETYLALANINEA1D0W0.74
AYAN-ACETYLALANINEA1AH40.74
AYAN-ACETYLALANINEA,B1VBP0.74
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1J4T0.74
AYAN-ACETYLALANINEA,B,C,D1OUW0.74
AYAN-ACETYLALANINEA1AH30.74
AYAN-ACETYLALANINEA1EKO0.74
AYAN-ACETYLALANINEB,D,F,H2V4I0.74
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1VBO0.74
AYAN-ACETYLALANINEA,B,C,D1J4U0.74
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
NC44-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACIDA1ZD30.75
NXAN-CARBOXYALANINEA2IUX0.72
NXAN-CARBOXYALANINEA1O8A0.72
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.73
BG55-HYDROXYAMINO-3-METHYL-PYRROLIDINE-
2-CARBOXYLIC ACID
A1TV20.7
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
MUDN-{[(1R)-1-carboxy-2-(methylsulfanyl)ethyl]carbamoyl}-
L-glutamic acid
A3D7G0.72
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2E680.7
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B1XGE0.7
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z290.7
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z260.7
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z270.7
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z280.7
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z2A0.7
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z240.7
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z250.7
CDT4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACIDA,B1UF50.78
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.7
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.7
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.7
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.7
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.7
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.7
X7O5-AMINO-3-METHYL-PYRROLIDINE-2-
CARBOXYLIC ACID
A1L2Q0.74
1753,5-DIHYDRO-5-METHYLIDENE-4H-IMIDAZOL-
4-ON
A,B,C,D,E,F,
G,H
1T6P0.74
1753,5-DIHYDRO-5-METHYLIDENE-4H-IMIDAZOL-
4-ON
A,B1T6J0.74
MVAN-METHYLVALINEA209D0.82
MVAN-METHYLVALINEA,B,C,D,E,F,
G,H
3BO70.82
MVAN-METHYLVALINEC1CWH0.82
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
1UNJ0.82
MVAN-METHYLVALINEA1DSD0.82
MVAN-METHYLVALINEB1L1V0.82
MVAN-METHYLVALINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.82
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMB0.82
MVAN-METHYLVALINEC1CWO0.82
MVAN-METHYLVALINEC1CWL0.82
MVAN-METHYLVALINEB1MIK0.82
MVAN-METHYLVALINEA1CSA0.82
MVAN-METHYLVALINEC1CWM0.82
MVAN-METHYLVALINEA1PFE0.82
MVAN-METHYLVALINEA,B,D,E,F,H1M630.82
MVAN-METHYLVALINEC1CWC0.82
MVAN-METHYLVALINEB,D,F,H2RMC0.82
MVAN-METHYLVALINEC1CWK0.82
MVAN-METHYLVALINEC1CYN0.82
MVAN-METHYLVALINEC,D1MNV0.82
MVAN-METHYLVALINEC,D2OJU0.82
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMA0.82
MVAN-METHYLVALINEA1CYB0.82
MVAN-METHYLVALINED1QNG0.82
MVAN-METHYLVALINEA,C,E,G2ADW0.82
MVAN-METHYLVALINEC1CWB0.82
MVAN-METHYLVALINEA,B,C,D,E,F1UNM0.82
MVAN-METHYLVALINEA,B1OVF0.82
MVAN-METHYLVALINEA,B185D0.82
MVAN-METHYLVALINEA1XVK0.82
MVAN-METHYLVALINEA,C1XVR0.82
MVAN-METHYLVALINEA,B173D0.82
MVAN-METHYLVALINEA,B1FJA0.82
MVAN-METHYLVALINEB3CYS0.82
MVAN-METHYLVALINEA,B,C1A7Y0.82
MVAN-METHYLVALINEA,B,C1L5G0.82
MVAN-METHYLVALINEA,B,C,D1I3W0.82
MVAN-METHYLVALINEA316D0.82
MVAN-METHYLVALINEA1XVN0.82
MVAN-METHYLVALINEC1IKF0.82
MVAN-METHYLVALINEA,M,N2Z6W0.82
MVAN-METHYLVALINEA,B,C1QFI0.82
MVAN-METHYLVALINEA,B3GO30.82
MVAN-METHYLVALINEC1CWA0.82
MVAN-METHYLVALINEC1CWF0.82
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P
1C5F0.82
MVAN-METHYLVALINED,E,F1XQ70.82
MVAN-METHYLVALINEA1CYA0.82
MVAN-METHYLVALINEA,B,D1MF80.82
MVAN-METHYLVALINEA,B1A7Z0.82
MVAN-METHYLVALINEA1DSC0.82
MVAN-METHYLVALINET,U,V2POY0.82
MVAN-METHYLVALINEA2D550.82
MVAN-METHYLVALINEC1BCK0.82
MVAN-METHYLVALINEC1CWI0.82
MVAN-METHYLVALINEC,D1QNH0.82
MVAN-METHYLVALINEA1VS20.82
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.95
AAGN-ALPHA-L-ACETYL-ARGININEA1DRY0.72
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.73
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.72
URPN-(AMINOCARBONYL)-BETA-ALANINEA,B,C,D2V8V0.71
URPN-(AMINOCARBONYL)-BETA-ALANINEA,B,C,D2FVM0.71
URPN-(AMINOCARBONYL)-BETA-ALANINEA,B,C,D2V8H0.71
BG45-(HYDROXY-METHYL-AMINO)-3-METHYL-
PYRROLIDINE-2-CARBOXYLIC ACID
A1TV30.71
IMLN-METHYL-ISOLEUCINEC1CWM0.75
CIRCITRULLINEA,B,C,D1J210.73
CIRCITRULLINEB1KOD0.73
CIRCITRULLINEA,B,C3B3I0.73
CIRCITRULLINEC3DTX0.73
CIRCITRULLINEA2C6Z0.73
CIRCITRULLINEA,C,E,F2W650.73
CIRCITRULLINEA,B2JAI0.73
CIRCITRULLINEP3FT20.73
CIRCITRULLINEA,B,C,D1J1Z0.73
CIRCITRULLINEA,B1LXY0.73
CIRCITRULLINEF,H1OL10.73
CIRCITRULLINEA1KP30.73
CIRCITRULLINEA2NZ20.73
CIRCITRULLINEA1H700.73
CIRCITRULLINEA1K970.73
CIRCITRULLINEC3B6S0.73
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.74
AN0N-ACETYL-L-NORVALINEA1ZQ80.74
OLN(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACIDA1YH10.76
0AGN-(ethoxycarbonyl)-L-leucineI,J1PSA0.76
NC3N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINEP1ZD20.77
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z260.79
NCDN-CARBAMOYL-L-ASPARTATEA,B1J790.79
NCDN-CARBAMOYL-L-ASPARTATEA,B1XGE0.79
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z290.79
NCDN-CARBAMOYL-L-ASPARTATEA,B,G,H1R0C0.79
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z270.79
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z280.79
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z2A0.79
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z240.79
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z250.79
NC66-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACIDA1ZD40.73
DVAD-VALINEA,B,C,D1C4D0.71
DVAD-VALINEA,B,C,D3BOG0.71
DVAD-VALINEA,B,C,D1GMK0.71
DVAD-VALINEA209D0.71
DVAD-VALINEA,B1TKQ0.71
DVAD-VALINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
1UNJ0.71
DVAD-VALINEA,B1MIC0.71
DVAD-VALINEA,B1NRU0.71
DVAD-VALINEA1DSD0.71
DVAD-VALINEB1L1V0.71
DVAD-VALINEA,B1JNO0.71
DVAD-VALINEA,B1NRM0.71
DVAD-VALINEA,B1NT50.71
DVAD-VALINEA2JUE0.71
DVAD-VALINEA,B,C,D1AV20.71
DVAD-VALINEA,B2FCN0.71
DVAD-VALINEA,B1A7Z0.71
DVAD-VALINEA,B1AL40.71
DVAD-VALINEA,B1NG80.71
DVAD-VALINEA2D550.71
DVAD-VALINEA1DSC0.71
DVAD-VALINEA,B1ALX0.71
DVAD-VALINEA,B1JO40.71
DVAD-VALINEA,B1MAG0.71
DVAD-VALINEA,B1NT60.71
DVAD-VALINEA,B2Q330.71
DVAD-VALINEA,B1JO30.71
DVAD-VALINEC,D1MNV0.71
DVAD-VALINEA,B1KQE0.71
DVAD-VALINEA,B,C,D1W5U0.71
DVAD-VALINEA,B,C,D2IZQ0.71
DVAD-VALINEA,B,C,D,E,F1UNM0.71
DVAD-VALINEA,C,D1S4V0.71
DVAD-VALINEA,B1OVF0.71
DVAD-VALINEA,L1ZEA0.71
DVAD-VALINEA,B1ALZ0.71
DVAD-VALINEA,B,C1A7Y0.71
DVAD-VALINEA,B173D0.71
DVAD-VALINEA,B1BDW0.71
DVAD-VALINEA,B1FJA0.71
DVAD-VALINEA1BFW0.71
DVAD-VALINEA,B,C,D1I3W0.71
DVAD-VALINEA316D0.71
DVAD-VALINEA,B,C1QFI0.71
DVAD-VALINEA,B1GRM0.71
MAAN-METHYLALANINEA,B1A7Z0.71
MAAN-METHYLALANINEA,B2VSL0.71
MAAN-METHYLALANINEC1CWI0.71
MAAN-METHYLALANINEC,F,G,H3DW80.71
MAAN-METHYLALANINEA,B,C,D,E,F,
G,H
2NYL0.71
MAAN-METHYLALANINED1D5X0.71
MAAN-METHYLALANINEC1PYW0.71
MAAN-METHYLALANINEA,B,C,D,E,F,
G,H
2NYM0.71
MAAN-METHYLALANINEC,I2IE30.71
MAAN-METHYLALANINEC,F,X,Y2NPP0.71