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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02237599

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z260.75
NCDN-CARBAMOYL-L-ASPARTATEA,B1J790.75
NCDN-CARBAMOYL-L-ASPARTATEA,B1XGE0.75
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z290.75
NCDN-CARBAMOYL-L-ASPARTATEA,B,G,H1R0C0.75
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z270.75
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z280.75
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z2A0.75
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z240.75
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z250.75
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2E680.72
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B1XGE0.72
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z290.72
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z260.72
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z270.72
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z280.72
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z2A0.72
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z240.72
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z250.72
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.81
SUGN~2~-(3-CARBOXYPROPANOYL)-L-ARGININEA,B,C,D1YNI0.7
SUGN~2~-(3-CARBOXYPROPANOYL)-L-ARGININEA2P8C0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1OEX0.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWX0.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVW0.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVX0.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWW0.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1GKT0.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWC0.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVV0.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVT0.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2VS20.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA1OEW0.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVU0.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJJ0.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJI0.75
2Z9N-acetyl-L-alpha-aspartyl-L-alpha-
glutamyl-N-[(1R)-2-carboxy-1-formylethyl]-
L-valinamide
A,B3H1P0.76
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NKK0.79
DMHN4,N4-DIMETHYL-ASPARAGINEA,B,C,D,E,F,
G,H
1NJT0.79
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NJU0.79
DMHN4,N4-DIMETHYL-ASPARAGINEY,Z1JQ70.79
DMHN4,N4-DIMETHYL-ASPARAGINEC1NKM0.79
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
OLN(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACIDA1YH10.7
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE
A1IKI0.75
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.73
BAA(TERT-BUTYLOXYCARBONYL)-ALANYL-
ALANYL-AMINE
A1ELG0.71
SMGN-SUCCINYL METHIONINEA,B,C,D1SJC0.77
AYAN-ACETYLALANINEA1D0W0.7
AYAN-ACETYLALANINEA1AH40.7
AYAN-ACETYLALANINEA,B1VBP0.7
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1J4T0.7
AYAN-ACETYLALANINEA,B,C,D1OUW0.7
AYAN-ACETYLALANINEA1AH30.7
AYAN-ACETYLALANINEA1EKO0.7
AYAN-ACETYLALANINEB,D,F,H2V4I0.7
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1VBO0.7
AYAN-ACETYLALANINEA,B,C,D1J4U0.7
ORQN~5~-ACETYL-L-ORNITHINEP,Q2FX90.7
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
1IPN~2~-(PHOSPHONOACETYL)-L-ASPARAGINEA,B,C,D2IPO0.77
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.7
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.73
AN0N-ACETYL-L-NORVALINEA1ZQ80.73
1583-(2-MERCAPTO-ACETYLAMINO)-4-OXO-
PENTANOIC ACID
A,B1NME0.73
1583-(2-MERCAPTO-ACETYLAMINO)-4-OXO-
PENTANOIC ACID
A1RWK0.73
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.72
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.75
6PR(S)-4-AMINO-4-OXO-3-(2-PHOSPHONOACETAMIDO)BUTANOIC ACIDA,B,C,D2H3E0.85
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
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
DSGD-ASPARAGINEA,B2Q330.72
DSGD-ASPARAGINEA2IH00.72
DSGD-ASPARAGINEA2JUE0.72
DSGD-ASPARAGINEA1A850.72
DSGD-ASPARAGINEA1T5N0.72
DSGD-ASPARAGINEA2IGZ0.72
DSGD-ASPARAGINEA,B,C,D3BOG0.72
DSGD-ASPARAGINEA1T5M0.72
DSGD-ASPARAGINEA,B1HXB0.72
NSNN~2~-(2-AMINO-1-METHYL-2-OXOETHYLIDENE)ASPARAGINATEA1UHE0.73
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C1EKX0.71
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q950.71
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1TTH0.71
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1ACM0.71
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1D090.71
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1XJW0.71
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA1ML40.71
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDB,D1I5O0.71
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1F1B0.71
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D8ATC0.71
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.8
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
RGS4N-MALONYL-CYSTEINYL-2,4-DIAMINOBUTYRATE DISULFIDEA4GR10.76
C6LN-hexanoyl-L-homoserineA3DHA0.74
C6LN-hexanoyl-L-homoserineA3DHB0.74
MENN-METHYL ASPARAGINEA,B,K,L1B8D0.82
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
1GH00.82
MENN-METHYL ASPARAGINEA,B,C,D1XF60.82
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
H,I,J,K,L,M
1B330.82
MENN-METHYL ASPARAGINEA,B1I7Y0.82
MENN-METHYL ASPARAGINEA,B3BRP0.82
MENN-METHYL ASPARAGINEA,B1JBO0.82
MENN-METHYL ASPARAGINEA,B1ALL0.82
MENN-METHYL ASPARAGINEA,B,K,L1EYX0.82
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
1HA70.82
MENN-METHYL ASPARAGINEA,B,C,D2VJH0.82
MENN-METHYL ASPARAGINEA,B1KTP0.82
MENN-METHYL ASPARAGINEA,B1PHN0.82
MENN-METHYL ASPARAGINEA,B,C,D1QGW0.82
MENN-METHYL ASPARAGINEA,B,C,D1XG00.82
MENN-METHYL ASPARAGINEA,B2VJT0.82
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
K,L,M,N,O,P
2BV80.82
MENN-METHYL ASPARAGINEA,B2V8A0.82
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H
3DBJ0.82
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
BUJ(3R)-3-(hexadecanoylamino)-4-(trimethylammonio)butanoateA,B2RCU0.73
NSKN-SUCCINYL LYSINEA2P8B0.79
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D2GGH0.72
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D1XPY0.72
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE
A1IKG0.74