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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03128123

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
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2E680.77
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B1XGE0.77
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z290.77
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z260.77
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z270.77
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z280.77
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z2A0.77
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z240.77
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z250.77
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.81
RGS4N-MALONYL-CYSTEINYL-2,4-DIAMINOBUTYRATE DISULFIDEA4GR10.73
SUGN~2~-(3-CARBOXYPROPANOYL)-L-ARGININEA,B,C,D1YNI0.7
SUGN~2~-(3-CARBOXYPROPANOYL)-L-ARGININEA2P8C0.7
NXAN-CARBOXYALANINEA2IUX0.72
NXAN-CARBOXYALANINEA1O8A0.72
2Z9N-acetyl-L-alpha-aspartyl-L-alpha-
glutamyl-N-[(1R)-2-carboxy-1-formylethyl]-
L-valinamide
A,B3H1P0.71
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B2J9P0.72
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B,C,D2VGK0.72
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE
A1IKI0.75
ORQN~5~-ACETYL-L-ORNITHINEP,Q2FX90.73
AMEN-ACETYLMETHIONINEA,B,C,D1SJA0.72
AMEN-ACETYLMETHIONINEA,B2J4Y0.72
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.86
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.86
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.86
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.86
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.86
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.86
OLN(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACIDA1YH10.73
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.79
AN0N-ACETYL-L-NORVALINEA1ZQ80.79
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.73
THCN-METHYLCARBONYLTHREONINEB2HR00.73
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.73
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.73
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NKK0.82
DMHN4,N4-DIMETHYL-ASPARAGINEA,B,C,D,E,F,
G,H
1NJT0.82
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NJU0.82
DMHN4,N4-DIMETHYL-ASPARAGINEY,Z1JQ70.82
DMHN4,N4-DIMETHYL-ASPARAGINEC1NKM0.82
MENN-METHYL ASPARAGINEA,B,K,L1B8D0.85
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
1GH00.85
MENN-METHYL ASPARAGINEA,B,C,D1XF60.85
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
H,I,J,K,L,M
1B330.85
MENN-METHYL ASPARAGINEA,B1I7Y0.85
MENN-METHYL ASPARAGINEA,B3BRP0.85
MENN-METHYL ASPARAGINEA,B1JBO0.85
MENN-METHYL ASPARAGINEA,B1ALL0.85
MENN-METHYL ASPARAGINEA,B,K,L1EYX0.85
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
1HA70.85
MENN-METHYL ASPARAGINEA,B,C,D2VJH0.85
MENN-METHYL ASPARAGINEA,B1KTP0.85
MENN-METHYL ASPARAGINEA,B1PHN0.85
MENN-METHYL ASPARAGINEA,B,C,D1QGW0.85
MENN-METHYL ASPARAGINEA,B,C,D1XG00.85
MENN-METHYL ASPARAGINEA,B2VJT0.85
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
K,L,M,N,O,P
2BV80.85
MENN-METHYL ASPARAGINEA,B2V8A0.85
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H
3DBJ0.85
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.7
1583-(2-MERCAPTO-ACETYLAMINO)-4-OXO-
PENTANOIC ACID
A,B1NME0.73
1583-(2-MERCAPTO-ACETYLAMINO)-4-OXO-
PENTANOIC ACID
A1RWK0.73
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1OEX0.8
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWX0.8
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVW0.8
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVX0.8
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWW0.8
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1GKT0.8
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWC0.8
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVV0.8
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVT0.8
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2VS20.8
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA1OEW0.8
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVU0.8
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJJ0.8
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJI0.8
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.77
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.75
PT3N-PROPYL-TARTRAMIC ACIDA,B,C,D2HPA0.72
6PR(S)-4-AMINO-4-OXO-3-(2-PHOSPHONOACETAMIDO)BUTANOIC ACIDA,B,C,D2H3E0.85
I38N-(3-MERCAPTOPROPANOYL)-D-ALANINEA2QDT0.71
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.72
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PPP0.73
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PE60.73
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1ITO0.73
NSNN~2~-(2-AMINO-1-METHYL-2-OXOETHYLIDENE)ASPARAGINATEA1UHE0.73
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C1EKX0.76
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q950.76
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1TTH0.76
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1ACM0.76
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1D090.76
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1XJW0.76
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA1ML40.76
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDB,D1I5O0.76
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1F1B0.76
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D8ATC0.76
1IPN~2~-(PHOSPHONOACETYL)-L-ASPARAGINEA,B,C,D2IPO0.82
DSGD-ASPARAGINEA,B2Q330.75
DSGD-ASPARAGINEA2IH00.75
DSGD-ASPARAGINEA2JUE0.75
DSGD-ASPARAGINEA1A850.75
DSGD-ASPARAGINEA1T5N0.75
DSGD-ASPARAGINEA2IGZ0.75
DSGD-ASPARAGINEA,B,C,D3BOG0.75
DSGD-ASPARAGINEA1T5M0.75
DSGD-ASPARAGINEA,B1HXB0.75
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D2GGH0.78
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D1XPY0.78
SIC(2R)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-
1-yl]-3-sulfanylpropanoic acid
A,B3DIP0.75
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.71
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.71
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.71
SACN-ACETYL-SERINEA1R4U0.71
SACN-ACETYL-SERINEA,B,C,D1WS30.71
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H
1XY30.71
SACN-ACETYL-SERINEA,B1EVU0.71
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H
1R560.71
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.71
SACN-ACETYL-SERINEA1WRR0.71
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.71
SACN-ACETYL-SERINEA,B3CVQ0.71
SACN-ACETYL-SERINEA1B0B0.71
SACN-ACETYL-SERINEA1XT40.71
SACN-ACETYL-SERINEA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.71
SACN-ACETYL-SERINEA2FXL0.71
SACN-ACETYL-SERINEA1R4S0.71
SACN-ACETYL-SERINEA,B,C,D1WS20.71
SACN-ACETYL-SERINEA,B,C,D2AUC0.71
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.71
SACN-ACETYL-SERINEA1R510.71
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.71
SACN-ACETYL-SERINEA,B,C,D1XXJ0.71
SACN-ACETYL-SERINET2QAC0.71
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.71
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z260.81
NCDN-CARBAMOYL-L-ASPARTATEA,B1J790.81
NCDN-CARBAMOYL-L-ASPARTATEA,B1XGE0.81
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z290.81
NCDN-CARBAMOYL-L-ASPARTATEA,B,G,H1R0C0.81
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z270.81
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z280.81
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z2A0.81
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z240.81
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z250.81
SMGN-SUCCINYL METHIONINEA,B,C,D1SJC0.79
C6LN-hexanoyl-L-homoserineA3DHA0.74
C6LN-hexanoyl-L-homoserineA3DHB0.74
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.71
XPC(3S,4R)-4-aminopyrrolidine-3-carboxylic acidA,B,D,E,F3FDM0.71
XPC(3S,4R)-4-aminopyrrolidine-3-carboxylic acidA3HF00.71
XPC(3S,4R)-4-aminopyrrolidine-3-carboxylic acidA3C3H0.71
NLGN-ACETYL-L-GLUTAMATEA1OH90.8
NLGN-ACETYL-L-GLUTAMATEA1OHA0.8
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,I,J,K,L
2BUF0.8
NLGN-ACETYL-L-GLUTAMATEA,B,C,D2RD50.8
NLGN-ACETYL-L-GLUTAMATEA,B2JJ40.8
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,J,K
2V5H0.8
NLGN-ACETYL-L-GLUTAMATEA1GSJ0.8
NLGN-ACETYL-L-GLUTAMATEA3B8G0.8
NLGN-ACETYL-L-GLUTAMATEA1GS50.8
NLGN-ACETYL-L-GLUTAMATEA,B,C2BTY0.8
AYAN-ACETYLALANINEA1D0W0.76
AYAN-ACETYLALANINEA1AH40.76
AYAN-ACETYLALANINEA,B1VBP0.76
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1J4T0.76
AYAN-ACETYLALANINEA,B,C,D1OUW0.76
AYAN-ACETYLALANINEA1AH30.76
AYAN-ACETYLALANINEA1EKO0.76
AYAN-ACETYLALANINEB,D,F,H2V4I0.76
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1VBO0.76
AYAN-ACETYLALANINEA,B,C,D1J4U0.76
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.83
NSKN-SUCCINYL LYSINEA2P8B0.79
NCBN-CARBAMOYL-ALANINEA,B,C,D,E,F,
G,H,I,J
1QMV0.71
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE
A1IKG0.74