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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01856455

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1753,5-DIHYDRO-5-METHYLIDENE-4H-IMIDAZOL-
4-ON
A,B,C,D,E,F,
G,H
1T6P0.72
1753,5-DIHYDRO-5-METHYLIDENE-4H-IMIDAZOL-
4-ON
A,B1T6J0.72
BG55-HYDROXYAMINO-3-METHYL-PYRROLIDINE-
2-CARBOXYLIC ACID
A1TV20.72
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B1O5K0.71
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B3CPR0.71
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B2VC60.71
MENN-METHYL ASPARAGINEA,B,K,L1B8D0.7
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
1GH00.7
MENN-METHYL ASPARAGINEA,B,C,D1XF60.7
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
H,I,J,K,L,M
1B330.7
MENN-METHYL ASPARAGINEA,B1I7Y0.7
MENN-METHYL ASPARAGINEA,B3BRP0.7
MENN-METHYL ASPARAGINEA,B1JBO0.7
MENN-METHYL ASPARAGINEA,B1ALL0.7
MENN-METHYL ASPARAGINEA,B,K,L1EYX0.7
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
1HA70.7
MENN-METHYL ASPARAGINEA,B,C,D2VJH0.7
MENN-METHYL ASPARAGINEA,B1KTP0.7
MENN-METHYL ASPARAGINEA,B1PHN0.7
MENN-METHYL ASPARAGINEA,B,C,D1QGW0.7
MENN-METHYL ASPARAGINEA,B,C,D1XG00.7
MENN-METHYL ASPARAGINEA,B2VJT0.7
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
K,L,M,N,O,P
2BV80.7
MENN-METHYL ASPARAGINEA,B2V8A0.7
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H
3DBJ0.7
BG45-(HYDROXY-METHYL-AMINO)-3-METHYL-
PYRROLIDINE-2-CARBOXYLIC ACID
A1TV30.72
NC77-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEPTANOIC ACIDA1ZD50.71
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.74
OLN(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACIDA1YH10.78
AYAN-ACETYLALANINEA1D0W0.73
AYAN-ACETYLALANINEA1AH40.73
AYAN-ACETYLALANINEA,B1VBP0.73
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1J4T0.73
AYAN-ACETYLALANINEA,B,C,D1OUW0.73
AYAN-ACETYLALANINEA1AH30.73
AYAN-ACETYLALANINEA1EKO0.73
AYAN-ACETYLALANINEB,D,F,H2V4I0.73
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1VBO0.73
AYAN-ACETYLALANINEA,B,C,D1J4U0.73
NC3N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINEP1ZD20.79
3ARN-OMEGA-PROPYL-L-ARGININEA1QW60.7
3ARN-OMEGA-PROPYL-L-ARGININEA,B1QW40.7
3ARN-OMEGA-PROPYL-L-ARGININEA,B1MMV0.7
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z260.78
NCDN-CARBAMOYL-L-ASPARTATEA,B1J790.78
NCDN-CARBAMOYL-L-ASPARTATEA,B1XGE0.78
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z290.78
NCDN-CARBAMOYL-L-ASPARTATEA,B,G,H1R0C0.78
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z270.78
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z280.78
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z2A0.78
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z240.78
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z250.78
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.76
AN0N-ACETYL-L-NORVALINEA1ZQ80.76
MLEN-METHYLLEUCINEA,D2J9A0.77
MLEN-METHYLLEUCINEC1IKF0.77
MLEN-METHYLLEUCINEA,M,N2Z6W0.77
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P
1C5F0.77
MLEN-METHYLLEUCINED,E,F1XQ70.77
MLEN-METHYLLEUCINEC1CWA0.77
MLEN-METHYLLEUCINEC1CWF0.77
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMB0.77
MLEN-METHYLLEUCINEB3CYS0.77
MLEN-METHYLLEUCINEC1CWH0.77
MLEN-METHYLLEUCINEA,B,C,D,E,F,
G,H
3BO70.77
MLEN-METHYLLEUCINEC1CYN0.77
MLEN-METHYLLEUCINEA1LV90.77
MLEN-METHYLLEUCINEC,D2OJU0.77
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMA0.77
MLEN-METHYLLEUCINEA1IKM0.77
MLEN-METHYLLEUCINEC1CWK0.77
MLEN-METHYLLEUCINEA,B2HG80.77
MLEN-METHYLLEUCINEC1CWB0.77
MLEN-METHYLLEUCINEC1CWJ0.77
MLEN-METHYLLEUCINEA1CYB0.77
MLEN-METHYLLEUCINED1QNG0.77
MLEN-METHYLLEUCINEB1MIK0.77
MLEN-METHYLLEUCINEA1CSA0.77
MLEN-METHYLLEUCINEC1CWL0.77
MLEN-METHYLLEUCINEA1CYA0.77
MLEN-METHYLLEUCINEA,B,D1MF80.77
MLEN-METHYLLEUCINEC1BCK0.77
MLEN-METHYLLEUCINEA,B,D,E,F,H1M630.77
MLEN-METHYLLEUCINEC1CWC0.77
MLEN-METHYLLEUCINEC1CWI0.77
MLEN-METHYLLEUCINEC,D1QNH0.77
MLEN-METHYLLEUCINEB,D,F,H2RMC0.77
MLEN-METHYLLEUCINEC1CWM0.77
MLEN-METHYLLEUCINET,U,V2POY0.77
MLEN-METHYLLEUCINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.77
MLEN-METHYLLEUCINEC1CWO0.77
MLEN-METHYLLEUCINEA1IKL0.77
MUDN-{[(1R)-1-carboxy-2-(methylsulfanyl)ethyl]carbamoyl}-
L-glutamic acid
A3D7G0.73
0AGN-(ethoxycarbonyl)-L-leucineI,J1PSA0.78
X7O5-AMINO-3-METHYL-PYRROLIDINE-2-
CARBOXYLIC ACID
A1L2Q0.75
NC44-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACIDA1ZD30.77
LBYN~6~-(TERT-BUTOXYCARBONYL)-L-LYSINEA2ZIN0.7
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.72
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.72
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.72
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.72
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.72
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.72
CDT4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACIDA,B1UF50.77
DVAD-VALINEA,B,C,D1C4D0.7
DVAD-VALINEA,B,C,D3BOG0.7
DVAD-VALINEA,B,C,D1GMK0.7
DVAD-VALINEA209D0.7
DVAD-VALINEA,B1TKQ0.7
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
1UNJ0.7
DVAD-VALINEA,B1MIC0.7
DVAD-VALINEA,B1NRU0.7
DVAD-VALINEA1DSD0.7
DVAD-VALINEB1L1V0.7
DVAD-VALINEA,B1JNO0.7
DVAD-VALINEA,B1NRM0.7
DVAD-VALINEA,B1NT50.7
DVAD-VALINEA2JUE0.7
DVAD-VALINEA,B,C,D1AV20.7
DVAD-VALINEA,B2FCN0.7
DVAD-VALINEA,B1A7Z0.7
DVAD-VALINEA,B1AL40.7
DVAD-VALINEA,B1NG80.7
DVAD-VALINEA2D550.7
DVAD-VALINEA1DSC0.7
DVAD-VALINEA,B1ALX0.7
DVAD-VALINEA,B1JO40.7
DVAD-VALINEA,B1MAG0.7
DVAD-VALINEA,B1NT60.7
DVAD-VALINEA,B2Q330.7
DVAD-VALINEA,B1JO30.7
DVAD-VALINEC,D1MNV0.7
DVAD-VALINEA,B1KQE0.7
DVAD-VALINEA,B,C,D1W5U0.7
DVAD-VALINEA,B,C,D2IZQ0.7
DVAD-VALINEA,B,C,D,E,F1UNM0.7
DVAD-VALINEA,C,D1S4V0.7
DVAD-VALINEA,B1OVF0.7
DVAD-VALINEA,L1ZEA0.7
DVAD-VALINEA,B1ALZ0.7
DVAD-VALINEA,B,C1A7Y0.7
DVAD-VALINEA,B173D0.7
DVAD-VALINEA,B1BDW0.7
DVAD-VALINEA,B1FJA0.7
DVAD-VALINEA1BFW0.7
DVAD-VALINEA,B,C,D1I3W0.7
DVAD-VALINEA316D0.7
DVAD-VALINEA,B,C1QFI0.7
DVAD-VALINEA,B1GRM0.7
CYKN-hexanoyl-L-homocysteineA3DHC0.7
MAAN-METHYLALANINEA,B1A7Z0.7
MAAN-METHYLALANINEA,B2VSL0.7
MAAN-METHYLALANINEC1CWI0.7
MAAN-METHYLALANINEC,F,G,H3DW80.7
MAAN-METHYLALANINEA,B,C,D,E,F,
G,H
2NYL0.7
MAAN-METHYLALANINED1D5X0.7
MAAN-METHYLALANINEC1PYW0.7
MAAN-METHYLALANINEA,B,C,D,E,F,
G,H
2NYM0.7
MAAN-METHYLALANINEC,I2IE30.7
MAAN-METHYLALANINEC,F,X,Y2NPP0.7
NCBN-CARBAMOYL-ALANINEA,B,C,D,E,F,
G,H,I,J
1QMV0.82
CIRCITRULLINEA,B,C,D1J210.75
CIRCITRULLINEB1KOD0.75
CIRCITRULLINEA,B,C3B3I0.75
CIRCITRULLINEC3DTX0.75
CIRCITRULLINEA2C6Z0.75
CIRCITRULLINEA,C,E,F2W650.75
CIRCITRULLINEA,B2JAI0.75
CIRCITRULLINEP3FT20.75
CIRCITRULLINEA,B,C,D1J1Z0.75
CIRCITRULLINEA,B1LXY0.75
CIRCITRULLINEF,H1OL10.75
CIRCITRULLINEA1KP30.75
CIRCITRULLINEA2NZ20.75
CIRCITRULLINEA1H700.75
CIRCITRULLINEA1K970.75
CIRCITRULLINEC3B6S0.75
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
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.75
DNGN-FORMYL-D-NORLEUCINEA,B1S4A0.71
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.71
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.7
NXAN-CARBOXYALANINEA2IUX0.71
NXAN-CARBOXYALANINEA1O8A0.71
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2E680.71
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B1XGE0.71
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z290.71
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z260.71
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z270.71
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z280.71
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z2A0.71
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z240.71
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z250.71
SRG(2S)-2-[[(2S)-1-[[(5S,8S,9E)-2,7-
dioxo-5-propan-2-yl-1,6-diazacyclododeca-
3,9-dien-8-yl]amino]-3-methyl-1-
oxo-butan-2-yl]carbamoylamino]-
3-methyl-butanoic acid
1,H,K,N,V,Y2ZCY0.7
NC66-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACIDA1ZD40.74
AAGN-ALPHA-L-ACETYL-ARGININEA1DRY0.74
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.74
ALYN(6)-ACETYLLYSINEA,B2B4D0.73
ALYN(6)-ACETYLLYSINEA,B2OD90.73
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVR0.73
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVS0.73
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVQ0.73
ALYN(6)-ACETYLLYSINEA,B,C,D2OT70.73
ALYN(6)-ACETYLLYSINEA,B2B5G0.73
ALYN(6)-ACETYLLYSINEA2GIV0.73
ALYN(6)-ACETYLLYSINEB2RNY0.73
ALYN(6)-ACETYLLYSINEA1JSP0.73
ALYN(6)-ACETYLLYSINEA,B,I,L2V5W0.73
ALYN(6)-ACETYLLYSINEA,D3D4B0.73
ALYN(6)-ACETYLLYSINEA,B,C,D2OQ60.73
ALYN(6)-ACETYLLYSINEA,B2R0Y0.73
ALYN(6)-ACETYLLYSINEA3CZ70.73
ALYN(6)-ACETYLLYSINEA1JM40.73
ALYN(6)-ACETYLLYSINEA,B2H4H0.73
ALYN(6)-ACETYLLYSINEA,B2J6V0.73
ALYN(6)-ACETYLLYSINEA,B2R100.73
ALYN(6)-ACETYLLYSINEA,B1YC50.73
ALYN(6)-ACETYLLYSINEA,B,C,D2OX00.73
ALYN(6)-ACETYLLYSINEA,B2H2G0.73
ALYN(6)-ACETYLLYSINEA,D2H4F0.73
ALYN(6)-ACETYLLYSINEA2OU20.73
ALYN(6)-ACETYLLYSINEA,B1S5P0.73
ALYN(6)-ACETYLLYSINEB2RNW0.73
ALYN(6)-ACETYLLYSINEA3D350.73
ALYN(6)-ACETYLLYSINEA,B2OD20.73
ALYN(6)-ACETYLLYSINEA2ZFN0.73
ALYN(6)-ACETYLLYSINEC,D2C1J0.73
ALYN(6)-ACETYLLYSINEA,B2QQG0.73
ALYN(6)-ACETYLLYSINEB2RNX0.73
ALYN(6)-ACETYLLYSINEA,B1MA30.73
ALYN(6)-ACETYLLYSINEA,B2H2H0.73
ALYN(6)-ACETYLLYSINEA2I2Z0.73
ALYN(6)-ACETYLLYSINEA,B2OD70.73
ALYN(6)-ACETYLLYSINEP1E6I0.73
ALYN(6)-ACETYLLYSINEA,B1SZC0.73
ALYN(6)-ACETYLLYSINEA,B,C,D,I,J,
K,L
3EWF0.73
ALYN(6)-ACETYLLYSINEA,B2H2D0.73
ALYN(6)-ACETYLLYSINEA,B1Q1A0.73
ALYN(6)-ACETYLLYSINEA,B1SZD0.73
ALYN(6)-ACETYLLYSINEQ,R2E3K0.73
ALYN(6)-ACETYLLYSINEA2OZU0.73
ALYN(6)-ACETYLLYSINEA,B2QQF0.73
ALYN(6)-ACETYLLYSINEA,B,C2R0V0.73
MVAN-METHYLVALINEA209D0.81
MVAN-METHYLVALINEA,B,C,D,E,F,
G,H
3BO70.81
MVAN-METHYLVALINEC1CWH0.81
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
1UNJ0.81
MVAN-METHYLVALINEA1DSD0.81
MVAN-METHYLVALINEB1L1V0.81
MVAN-METHYLVALINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.81
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMB0.81
MVAN-METHYLVALINEC1CWO0.81
MVAN-METHYLVALINEC1CWL0.81
MVAN-METHYLVALINEB1MIK0.81
MVAN-METHYLVALINEA1CSA0.81
MVAN-METHYLVALINEC1CWM0.81
MVAN-METHYLVALINEA1PFE0.81
MVAN-METHYLVALINEA,B,D,E,F,H1M630.81
MVAN-METHYLVALINEC1CWC0.81
MVAN-METHYLVALINEB,D,F,H2RMC0.81
MVAN-METHYLVALINEC1CWK0.81
MVAN-METHYLVALINEC1CYN0.81
MVAN-METHYLVALINEC,D1MNV0.81
MVAN-METHYLVALINEC,D2OJU0.81
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMA0.81
MVAN-METHYLVALINEA1CYB0.81
MVAN-METHYLVALINED1QNG0.81
MVAN-METHYLVALINEA,C,E,G2ADW0.81
MVAN-METHYLVALINEC1CWB0.81
MVAN-METHYLVALINEA,B,C,D,E,F1UNM0.81
MVAN-METHYLVALINEA,B1OVF0.81
MVAN-METHYLVALINEA,B185D0.81
MVAN-METHYLVALINEA1XVK0.81
MVAN-METHYLVALINEA,C1XVR0.81
MVAN-METHYLVALINEA,B173D0.81
MVAN-METHYLVALINEA,B1FJA0.81
MVAN-METHYLVALINEB3CYS0.81
MVAN-METHYLVALINEA,B,C1A7Y0.81
MVAN-METHYLVALINEA,B,C1L5G0.81
MVAN-METHYLVALINEA,B,C,D1I3W0.81
MVAN-METHYLVALINEA316D0.81
MVAN-METHYLVALINEA1XVN0.81
MVAN-METHYLVALINEC1IKF0.81
MVAN-METHYLVALINEA,M,N2Z6W0.81
MVAN-METHYLVALINEA,B,C1QFI0.81
MVAN-METHYLVALINEA,B3GO30.81
MVAN-METHYLVALINEC1CWA0.81
MVAN-METHYLVALINEC1CWF0.81
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P
1C5F0.81
MVAN-METHYLVALINED,E,F1XQ70.81
MVAN-METHYLVALINEA1CYA0.81
MVAN-METHYLVALINEA,B,D1MF80.81
MVAN-METHYLVALINEA,B1A7Z0.81
MVAN-METHYLVALINEA1DSC0.81
MVAN-METHYLVALINET,U,V2POY0.81
MVAN-METHYLVALINEA2D550.81
MVAN-METHYLVALINEC1BCK0.81
MVAN-METHYLVALINEC1CWI0.81
MVAN-METHYLVALINEC,D1QNH0.81
MVAN-METHYLVALINEA1VS20.81
IMLN-METHYL-ISOLEUCINEC1CWM0.77
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.93
CPC2-METHYL-1-METHYLAMINO-CYCLOPROPANE CARBOXYLIC ACIDC,D193D0.71