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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00482900

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AMEN-ACETYLMETHIONINEA,B,C,D1SJA0.7
AMEN-ACETYLMETHIONINEA,B2J4Y0.7
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.71
SIC(2R)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-
1-yl]-3-sulfanylpropanoic acid
A,B3DIP0.76
DSGD-ASPARAGINEA,B2Q330.76
DSGD-ASPARAGINEA2IH00.76
DSGD-ASPARAGINEA2JUE0.76
DSGD-ASPARAGINEA1A850.76
DSGD-ASPARAGINEA1T5N0.76
DSGD-ASPARAGINEA2IGZ0.76
DSGD-ASPARAGINEA,B,C,D3BOG0.76
DSGD-ASPARAGINEA1T5M0.76
DSGD-ASPARAGINEA,B1HXB0.76
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.71
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
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.72
THCN-METHYLCARBONYLTHREONINEB2HR00.72
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.72
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.72
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
NXAN-CARBOXYALANINEA2IUX0.7
NXAN-CARBOXYALANINEA1O8A0.7
RGS4N-MALONYL-CYSTEINYL-2,4-DIAMINOBUTYRATE DISULFIDEA4GR10.74
GSHGLUTATHIONEA,B,C,D,E,F1JLV0.71
GSHGLUTATHIONEA1EEM0.71
GSHGLUTATHIONEA,B1USB0.71
GSHGLUTATHIONEA3FZA0.71
GSHGLUTATHIONEA2IMF0.71
GSHGLUTATHIONEA,B1PX60.71
GSHGLUTATHIONEA,B1MD40.71
GSHGLUTATHIONEA2CZ20.71
GSHGLUTATHIONEA3FZ90.71
GSHGLUTATHIONEA,B,C,D1R4W0.71
GSHGLUTATHIONEA1ZHP0.71
GSHGLUTATHIONEA,B3E730.71
GSHGLUTATHIONEA1VF10.71
GSHGLUTATHIONEA3CRT0.71
GSHGLUTATHIONEA,B,C,D2VCX0.71
GSHGLUTATHIONEA,B,C,D1XW60.71
GSHGLUTATHIONEA3CRU0.71
GSHGLUTATHIONEA,B1B480.71
GSHGLUTATHIONEA2ZK20.71
GSHGLUTATHIONEA,B,C,D1IYH0.71
GSHGLUTATHIONEA,B,C,D1Q8M0.71
GSHGLUTATHIONEA,B,C,D2PBJ0.71
GSHGLUTATHIONEA,B,C,D2VCQ0.71
GSHGLUTATHIONEA1GRA0.71
GSHGLUTATHIONEA,B1QGJ0.71
GSHGLUTATHIONEA2HGS0.71
GSHGLUTATHIONEA,B,C,D2VD10.71
GSHGLUTATHIONEA1ZHM0.71
GSHGLUTATHIONEA,B,C,D2VCZ0.71
GSHGLUTATHIONEC1KCG0.71
GSHGLUTATHIONEA,B1MD30.71
GSHGLUTATHIONEA,B2IO90.71
GSHGLUTATHIONEA,B2JL40.71
GSHGLUTATHIONEA3DK80.71
GSHGLUTATHIONEA3DK40.71
GSHGLUTATHIONEA,B,D2VCW0.71
GSHGLUTATHIONEA,B1XW50.71
GSHGLUTATHIONEA,B3FHS0.71
GSHGLUTATHIONEA,B1Y1A0.71
GSHGLUTATHIONEA1GRE0.71
GSHGLUTATHIONEA,B2HT90.71
GSHGLUTATHIONEA,B1DUG0.71
GSHGLUTATHIONEA,B,C,D2VD00.71
GSHGLUTATHIONEA,B1TYP0.71
GSHGLUTATHIONEA2FLS0.71
GSHGLUTATHIONEA,B1OE80.71
GSHGLUTATHIONEA,B1PX70.71
GSHGLUTATHIONEA3C1S0.71
GSHGLUTATHIONEA,B1F3A0.71
GSHGLUTATHIONEA1FW10.71
GSHGLUTATHIONEA,B2IMI0.71
GSHGLUTATHIONEA,B1LBK0.71
GSHGLUTATHIONEA,B2HQM0.71
GSHGLUTATHIONEA,B1TDI0.71
GSHGLUTATHIONEA,B,C,D1V400.71
GSHGLUTATHIONEA,B,C,D1IYI0.71
GSHGLUTATHIONEA3D0Z0.71
GSHGLUTATHIONEA,B1ZGN0.71
GSHGLUTATHIONEA,B,C,D2CVD0.71
GSHGLUTATHIONEA,B3C8E0.71
GSHGLUTATHIONEA,B,C1YJ60.71
GSHGLUTATHIONEA2IMD0.71
GSHGLUTATHIONEA2IME0.71
GSHGLUTATHIONEA3BHJ0.71
GSHGLUTATHIONEA,B1OE70.71
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE
A1IKI0.73
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C1EKX0.78
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q950.78
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1TTH0.78
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1ACM0.78
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1D090.78
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1XJW0.78
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA1ML40.78
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDB,D1I5O0.78
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1F1B0.78
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D8ATC0.78
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.84
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.84
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.84
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.84
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.84
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.84
NLGN-ACETYL-L-GLUTAMATEA1OH90.78
NLGN-ACETYL-L-GLUTAMATEA1OHA0.78
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,I,J,K,L
2BUF0.78
NLGN-ACETYL-L-GLUTAMATEA,B,C,D2RD50.78
NLGN-ACETYL-L-GLUTAMATEA,B2JJ40.78
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,J,K
2V5H0.78
NLGN-ACETYL-L-GLUTAMATEA1GSJ0.78
NLGN-ACETYL-L-GLUTAMATEA3B8G0.78
NLGN-ACETYL-L-GLUTAMATEA1GS50.78
NLGN-ACETYL-L-GLUTAMATEA,B,C2BTY0.78
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2E680.78
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B1XGE0.78
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z290.78
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z260.78
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z270.78
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z280.78
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z2A0.78
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z240.78
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z250.78
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D2GGH0.76
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D1XPY0.76
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.85
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
XPC(3S,4R)-4-aminopyrrolidine-3-carboxylic acidA,B,D,E,F3FDM0.72
XPC(3S,4R)-4-aminopyrrolidine-3-carboxylic acidA3HF00.72
XPC(3S,4R)-4-aminopyrrolidine-3-carboxylic acidA3C3H0.72
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.72
1583-(2-MERCAPTO-ACETYLAMINO)-4-OXO-
PENTANOIC ACID
A,B1NME0.71
1583-(2-MERCAPTO-ACETYLAMINO)-4-OXO-
PENTANOIC ACID
A1RWK0.71
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.82
SMGN-SUCCINYL METHIONINEA,B,C,D1SJC0.78
SUGN~2~-(3-CARBOXYPROPANOYL)-L-ARGININEA,B,C,D1YNI0.71
SUGN~2~-(3-CARBOXYPROPANOYL)-L-ARGININEA2P8C0.71
2Z9N-acetyl-L-alpha-aspartyl-L-alpha-
glutamyl-N-[(1R)-2-carboxy-1-formylethyl]-
L-valinamide
A,B3H1P0.7
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.74
1IPN~2~-(PHOSPHONOACETYL)-L-ASPARAGINEA,B,C,D2IPO0.83
PT3N-PROPYL-TARTRAMIC ACIDA,B,C,D2HPA0.7
OLN(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACIDA1YH10.71
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z260.82
NCDN-CARBAMOYL-L-ASPARTATEA,B1J790.82
NCDN-CARBAMOYL-L-ASPARTATEA,B1XGE0.82
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z290.82
NCDN-CARBAMOYL-L-ASPARTATEA,B,G,H1R0C0.82
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z270.82
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z280.82
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z2A0.82
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z240.82
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z250.82
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE
A1IKG0.72
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
NSKN-SUCCINYL LYSINEA2P8B0.81
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
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1OEX0.81
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWX0.81
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVW0.81
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVX0.81
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWW0.81
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1GKT0.81
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWC0.81
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVV0.81
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVT0.81
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2VS20.81
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA1OEW0.81
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVU0.81
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJJ0.81
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJI0.81
6PR(S)-4-AMINO-4-OXO-3-(2-PHOSPHONOACETAMIDO)BUTANOIC ACIDA,B,C,D2H3E0.86
NSNN~2~-(2-AMINO-1-METHYL-2-OXOETHYLIDENE)ASPARAGINATEA1UHE0.72
ORQN~5~-ACETYL-L-ORNITHINEP,Q2FX90.71
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.77
AN0N-ACETYL-L-NORVALINEA1ZQ80.77
GTTGLUTATHIONEA,B11GS0.71
GTTGLUTATHIONEA1GSN0.71
GTTGLUTATHIONEA,C1K0B0.71
GTTGLUTATHIONEA,B,C1K0D0.71
GTTGLUTATHIONEA,B6GSY0.71
GTTGLUTATHIONEA,B19GS0.71
GTTGLUTATHIONEA1FLJ0.71
GTTGLUTATHIONEA,B3DD30.71
GTTGLUTATHIONEA2PVQ0.71
GTTGLUTATHIONEA1DNC0.71
GTTGLUTATHIONEA,B,C,D,E,F,
G,H,I,J,K,L
2PNO0.71
GTTGLUTATHIONEA,B,C,D3CSI0.71
GTTGLUTATHIONEA,B6GSS0.71
GTTGLUTATHIONEA2R4V0.71
GTTGLUTATHIONEA,B,C,D3FZ50.71
GTTGLUTATHIONEA,B3GSS0.71
GTTGLUTATHIONEA,B2F8F0.71
GTTGLUTATHIONEA,B1GSY0.71
GTTGLUTATHIONEA1PMT0.71
GTTGLUTATHIONEA,B1GSE0.71
GTTGLUTATHIONEA,B,C,D1F2E0.71
GTTGLUTATHIONEA1UW30.71
GTTGLUTATHIONEA,B1SS40.71
GTTGLUTATHIONEA,B5GSS0.71
GTTGLUTATHIONEA1GRX0.71
GTTGLUTATHIONEA,B7GSS0.71
GTTGLUTATHIONEA1UA50.71
GTTGLUTATHIONEA,B,C8GSS0.71
GTTGLUTATHIONEA,B1LJR0.71
GTTGLUTATHIONEA,B,C,D1OYJ0.71
GTTGLUTATHIONEA,B,C,D2E7P0.71
GTTGLUTATHIONEA,B,C,D,E,F2GDR0.71
GTTGLUTATHIONEA,B,C,D2WEM0.71
GTTGLUTATHIONEA,B1K0A0.71
GTTGLUTATHIONEA,B3EE20.71
GTTGLUTATHIONEA3G5S0.71
GTTGLUTATHIONEA1HNL0.71
GTTGLUTATHIONEA,B,C,D1K0C0.71
GTTGLUTATHIONEA,B6GST0.71
GTTGLUTATHIONEA,B1TU70.71
GTTGLUTATHIONEA2H8A0.71
GTTGLUTATHIONEA,B,C,D2PMT0.71
GTTGLUTATHIONEA2UUH0.71
GTTGLUTATHIONEA,B1ZL90.71
GTTGLUTATHIONEA,B1QH50.71
GTTGLUTATHIONE1,21PD20.71
GTTGLUTATHIONEA,B3CSH0.71
GTTGLUTATHIONEA,C1JZR0.71
GTTGLUTATHIONEA2NTO0.71
GTTGLUTATHIONEA,B1KBN0.71
GTTGLUTATHIONEA3GRX0.71
GTTGLUTATHIONEA1B4Q0.71
GTTGLUTATHIONEA,B1PKW0.71
GTTGLUTATHIONEA1K0N0.71
GTTGLUTATHIONEA,B,C,D2DSA0.71
GTTGLUTATHIONEA,B2HNL0.71
GTTGLUTATHIONEA,B,C,D,E,F,
G,H
2ON50.71
GTTGLUTATHIONEA1GSA0.71
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1FHE0.71
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA2CA80.71
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1GNE0.71
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B3D5J0.71
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D,E,F,
G,H
2VCR0.71
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B2WCI0.71
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D1OYJ0.71
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.71
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1U3I0.71
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D1XA80.71
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B2BRQ0.71
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA2CAQ0.71
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1U870.71
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B1M0U0.71
C6LN-hexanoyl-L-homoserineA3DHA0.73
C6LN-hexanoyl-L-homoserineA3DHB0.73
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.75