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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03918914

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
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
SMGN-SUCCINYL METHIONINEA,B,C,D1SJC0.74
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1OEX0.74
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWX0.74
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVW0.74
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVX0.74
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWW0.74
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1GKT0.74
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWC0.74
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVV0.74
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVT0.74
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2VS20.74
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA1OEW0.74
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVU0.74
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJJ0.74
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJI0.74
SUGN~2~-(3-CARBOXYPROPANOYL)-L-ARGININEA,B,C,D1YNI0.72
SUGN~2~-(3-CARBOXYPROPANOYL)-L-ARGININEA2P8C0.72
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.77
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE
A1IKI0.72
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.8
L2A(2S,5S,8S,11S,15E,20S)-20-amino-
2-(carboxymethyl)-11,20-dimethyl-
5,8-bis(2-methylpropyl)-3,6,9,21-
tetraoxo-1,4,7,10-tetraazacyclohenicos-
15-ene-11-carboxylic acid
B2K1C0.7
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z260.78
NCDN-CARBAMOYL-L-ASPARTATEA,B1J790.78
NCDN-CARBAMOYL-L-ASPARTATEA,B1XGE0.78
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z290.78
NCDN-CARBAMOYL-L-ASPARTATEA,B,G,H1R0C0.78
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z270.78
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z280.78
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z2A0.78
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z240.78
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z250.78
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.71
AN0N-ACETYL-L-NORVALINEA1ZQ80.71
6PR(S)-4-AMINO-4-OXO-3-(2-PHOSPHONOACETAMIDO)BUTANOIC ACIDA,B,C,D2H3E0.79
GDSOXIDIZED GLUTATHIONE DISULFIDEA,B1YKC0.73
GDSOXIDIZED GLUTATHIONE DISULFIDEA2GRT0.73
GDSOXIDIZED GLUTATHIONE DISULFIDEA3GX00.73
TGGGAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINEA2F2K0.72
TGGGAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINEA,B2V6K0.72
ATIN-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACIDA1Y0Y0.74
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
RGS4N-MALONYL-CYSTEINYL-2,4-DIAMINOBUTYRATE DISULFIDEA4GR10.8
MENN-METHYL ASPARAGINEA,B,K,L1B8D0.76
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
1GH00.76
MENN-METHYL ASPARAGINEA,B,C,D1XF60.76
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
H,I,J,K,L,M
1B330.76
MENN-METHYL ASPARAGINEA,B1I7Y0.76
MENN-METHYL ASPARAGINEA,B3BRP0.76
MENN-METHYL ASPARAGINEA,B1JBO0.76
MENN-METHYL ASPARAGINEA,B1ALL0.76
MENN-METHYL ASPARAGINEA,B,K,L1EYX0.76
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
1HA70.76
MENN-METHYL ASPARAGINEA,B,C,D2VJH0.76
MENN-METHYL ASPARAGINEA,B1KTP0.76
MENN-METHYL ASPARAGINEA,B1PHN0.76
MENN-METHYL ASPARAGINEA,B,C,D1QGW0.76
MENN-METHYL ASPARAGINEA,B,C,D1XG00.76
MENN-METHYL ASPARAGINEA,B2VJT0.76
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
K,L,M,N,O,P
2BV80.76
MENN-METHYL ASPARAGINEA,B2V8A0.76
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H
3DBJ0.76
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
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.72
1IPN~2~-(PHOSPHONOACETYL)-L-ASPARAGINEA,B,C,D2IPO0.76
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NKK0.73
DMHN4,N4-DIMETHYL-ASPARAGINEA,B,C,D,E,F,
G,H
1NJT0.73
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NJU0.73
DMHN4,N4-DIMETHYL-ASPARAGINEY,Z1JQ70.73
DMHN4,N4-DIMETHYL-ASPARAGINEC1NKM0.73
2Z9N-acetyl-L-alpha-aspartyl-L-alpha-
glutamyl-N-[(1R)-2-carboxy-1-formylethyl]-
L-valinamide
A,B3H1P0.75
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE
A1IKG0.73
C6LN-hexanoyl-L-homoserineA3DHA0.74
C6LN-hexanoyl-L-homoserineA3DHB0.74
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.72
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.71
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.79
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.79
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.79
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.79
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.79
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.79
NSKN-SUCCINYL LYSINEA2P8B0.79