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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03026690

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NLGN-ACETYL-L-GLUTAMATEA1OH90.72
NLGN-ACETYL-L-GLUTAMATEA1OHA0.72
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,I,J,K,L
2BUF0.72
NLGN-ACETYL-L-GLUTAMATEA,B,C,D2RD50.72
NLGN-ACETYL-L-GLUTAMATEA,B2JJ40.72
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,J,K
2V5H0.72
NLGN-ACETYL-L-GLUTAMATEA1GSJ0.72
NLGN-ACETYL-L-GLUTAMATEA3B8G0.72
NLGN-ACETYL-L-GLUTAMATEA1GS50.72
NLGN-ACETYL-L-GLUTAMATEA,B,C2BTY0.72
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE
A1IKG0.71
SMGN-SUCCINYL METHIONINEA,B,C,D1SJC0.74
RGS4N-MALONYL-CYSTEINYL-2,4-DIAMINOBUTYRATE DISULFIDEA4GR10.73
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
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z260.73
NCDN-CARBAMOYL-L-ASPARTATEA,B1J790.73
NCDN-CARBAMOYL-L-ASPARTATEA,B1XGE0.73
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z290.73
NCDN-CARBAMOYL-L-ASPARTATEA,B,G,H1R0C0.73
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z270.73
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z280.73
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z2A0.73
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z240.73
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z250.73
1753,5-DIHYDRO-5-METHYLIDENE-4H-IMIDAZOL-
4-ON
A,B,C,D,E,F,
G,H
1T6P0.7
1753,5-DIHYDRO-5-METHYLIDENE-4H-IMIDAZOL-
4-ON
A,B1T6J0.7
1IPN~2~-(PHOSPHONOACETYL)-L-ASPARAGINEA,B,C,D2IPO0.74
6PR(S)-4-AMINO-4-OXO-3-(2-PHOSPHONOACETAMIDO)BUTANOIC ACIDA,B,C,D2H3E0.82
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE
A1IKI0.72
NSNN~2~-(2-AMINO-1-METHYL-2-OXOETHYLIDENE)ASPARAGINATEA1UHE0.71
NSKN-SUCCINYL LYSINEA2P8B0.77
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
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
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PPP0.71
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PE60.71
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1ITO0.71
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.73
AN0N-ACETYL-L-NORVALINEA1ZQ80.73
BUI(3R)-3-{[(TETRADECYLAMINO)CARBONYL]AMINO}-
4-(TRIMETHYLAMMONIO)BUTANOATE
A2FW30.71
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.72
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.78
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.8
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.8
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.8
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.8
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.8
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.8
C6LN-hexanoyl-L-homoserineA3DHA0.72
C6LN-hexanoyl-L-homoserineA3DHB0.72
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
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.8
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D2GGH0.7
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D1XPY0.7
2Z9N-acetyl-L-alpha-aspartyl-L-alpha-
glutamyl-N-[(1R)-2-carboxy-1-formylethyl]-
L-valinamide
A,B3H1P0.73
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
1583-(2-MERCAPTO-ACETYLAMINO)-4-OXO-
PENTANOIC ACID
A,B1NME0.7
1583-(2-MERCAPTO-ACETYLAMINO)-4-OXO-
PENTANOIC ACID
A1RWK0.7
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
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.72
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
BUJ(3R)-3-(hexadecanoylamino)-4-(trimethylammonio)butanoateA,B2RCU0.75