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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02269148

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1OEX0.73
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWX0.73
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVW0.73
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVX0.73
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWW0.73
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1GKT0.73
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWC0.73
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVV0.73
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVT0.73
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2VS20.73
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA1OEW0.73
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVU0.73
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJJ0.73
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJI0.73
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
168PANTOTHENYL-AMINOETHANOL-ACETATE PIVALIC ACIDA,B,C,D1OU60.75
59AN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCINE
A2DC80.71
LAE3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-
FURAN-3-YL)-AMIDE
A,B,C,D1L3L0.71
LAE3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-
FURAN-3-YL)-AMIDE
A,B2Q0O0.71
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z260.74
NCDN-CARBAMOYL-L-ASPARTATEA,B1J790.74
NCDN-CARBAMOYL-L-ASPARTATEA,B1XGE0.74
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z290.74
NCDN-CARBAMOYL-L-ASPARTATEA,B,G,H1R0C0.74
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z270.74
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z280.74
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z2A0.74
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z240.74
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z250.74
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.79
SMGN-SUCCINYL METHIONINEA,B,C,D1SJC0.77
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NKK0.8
DMHN4,N4-DIMETHYL-ASPARAGINEA,B,C,D,E,F,
G,H
1NJT0.8
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NJU0.8
DMHN4,N4-DIMETHYL-ASPARAGINEY,Z1JQ70.8
DMHN4,N4-DIMETHYL-ASPARAGINEC1NKM0.8
75VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE
A2DCA0.71
OPIPANTOTHENYL-AMINOETHANOL-11-PIVALIC ACIDA,B,C,D2VU10.75
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.74
THCN-METHYLCARBONYLTHREONINEB2HR00.74
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.74
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.74
NSKN-SUCCINYL LYSINEA2P8B0.77
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.72
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.72
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.72
SACN-ACETYL-SERINEA1R4U0.72
SACN-ACETYL-SERINEA,B,C,D1WS30.72
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H
1XY30.72
SACN-ACETYL-SERINEA,B1EVU0.72
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H
1R560.72
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.72
SACN-ACETYL-SERINEA1WRR0.72
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.72
SACN-ACETYL-SERINEA,B3CVQ0.72
SACN-ACETYL-SERINEA1B0B0.72
SACN-ACETYL-SERINEA1XT40.72
SACN-ACETYL-SERINEA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.72
SACN-ACETYL-SERINEA2FXL0.72
SACN-ACETYL-SERINEA1R4S0.72
SACN-ACETYL-SERINEA,B,C,D1WS20.72
SACN-ACETYL-SERINEA,B,C,D2AUC0.72
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.72
SACN-ACETYL-SERINEA1R510.72
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.72
SACN-ACETYL-SERINEA,B,C,D1XXJ0.72
SACN-ACETYL-SERINET2QAC0.72
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.72
NLGN-ACETYL-L-GLUTAMATEA1OH90.75
NLGN-ACETYL-L-GLUTAMATEA1OHA0.75
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,I,J,K,L
2BUF0.75
NLGN-ACETYL-L-GLUTAMATEA,B,C,D2RD50.75
NLGN-ACETYL-L-GLUTAMATEA,B2JJ40.75
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,J,K
2V5H0.75
NLGN-ACETYL-L-GLUTAMATEA1GSJ0.75
NLGN-ACETYL-L-GLUTAMATEA3B8G0.75
NLGN-ACETYL-L-GLUTAMATEA1GS50.75
NLGN-ACETYL-L-GLUTAMATEA,B,C2BTY0.75
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2E680.75
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B1XGE0.75
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z290.75
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z260.75
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z270.75
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z280.75
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z2A0.75
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z240.75
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z250.75
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.81
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.73
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.72
AA1[1-(4-ETHOXY-4-OXOBUTANOYL)HYDRAZINO]ACETIC ACIDI2C1E0.78
AA1[1-(4-ETHOXY-4-OXOBUTANOYL)HYDRAZINO]ACETIC ACIDI2C2K0.78
6PR(S)-4-AMINO-4-OXO-3-(2-PHOSPHONOACETAMIDO)BUTANOIC ACIDA,B,C,D2H3E0.73
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D2GGH0.73
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D1XPY0.73
1IPN~2~-(PHOSPHONOACETYL)-L-ASPARAGINEA,B,C,D2IPO0.8
PT3N-PROPYL-TARTRAMIC ACIDA,B,C,D2HPA0.7
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.74
AN0N-ACETYL-L-NORVALINEA1ZQ80.74
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.83
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.83
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.83
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.83
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.83
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.83
OLN(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACIDA1YH10.71
MENN-METHYL ASPARAGINEA,B,K,L1B8D0.83
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
1GH00.83
MENN-METHYL ASPARAGINEA,B,C,D1XF60.83
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
H,I,J,K,L,M
1B330.83
MENN-METHYL ASPARAGINEA,B1I7Y0.83
MENN-METHYL ASPARAGINEA,B3BRP0.83
MENN-METHYL ASPARAGINEA,B1JBO0.83
MENN-METHYL ASPARAGINEA,B1ALL0.83
MENN-METHYL ASPARAGINEA,B,K,L1EYX0.83
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
1HA70.83
MENN-METHYL ASPARAGINEA,B,C,D2VJH0.83
MENN-METHYL ASPARAGINEA,B1KTP0.83
MENN-METHYL ASPARAGINEA,B1PHN0.83
MENN-METHYL ASPARAGINEA,B,C,D1QGW0.83
MENN-METHYL ASPARAGINEA,B,C,D1XG00.83
MENN-METHYL ASPARAGINEA,B2VJT0.83
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
K,L,M,N,O,P
2BV80.83
MENN-METHYL ASPARAGINEA,B2V8A0.83
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H
3DBJ0.83
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PPP0.72
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PE60.72
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1ITO0.72
DSGD-ASPARAGINEA,B2Q330.73
DSGD-ASPARAGINEA2IH00.73
DSGD-ASPARAGINEA2JUE0.73
DSGD-ASPARAGINEA1A850.73
DSGD-ASPARAGINEA1T5N0.73
DSGD-ASPARAGINEA2IGZ0.73
DSGD-ASPARAGINEA,B,C,D3BOG0.73
DSGD-ASPARAGINEA1T5M0.73
DSGD-ASPARAGINEA,B1HXB0.73
0AGN-(ethoxycarbonyl)-L-leucineI,J1PSA0.71
HTFN-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDEA2AVX0.71
AYAN-ACETYLALANINEA1D0W0.71
AYAN-ACETYLALANINEA1AH40.71
AYAN-ACETYLALANINEA,B1VBP0.71
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1J4T0.71
AYAN-ACETYLALANINEA,B,C,D1OUW0.71
AYAN-ACETYLALANINEA1AH30.71
AYAN-ACETYLALANINEA1EKO0.71
AYAN-ACETYLALANINEB,D,F,H2V4I0.71
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1VBO0.71
AYAN-ACETYLALANINEA,B,C,D1J4U0.71
C6LN-hexanoyl-L-homoserineA3DHA0.75
C6LN-hexanoyl-L-homoserineA3DHB0.75