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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00260089

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DSGD-ASPARAGINEA,B2Q330.71
DSGD-ASPARAGINEA2IH00.71
DSGD-ASPARAGINEA2JUE0.71
DSGD-ASPARAGINEA1A850.71
DSGD-ASPARAGINEA1T5N0.71
DSGD-ASPARAGINEA2IGZ0.71
DSGD-ASPARAGINEA,B,C,D3BOG0.71
DSGD-ASPARAGINEA1T5M0.71
DSGD-ASPARAGINEA,B1HXB0.71
1IPN~2~-(PHOSPHONOACETYL)-L-ASPARAGINEA,B,C,D2IPO0.73
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NKK0.81
DMHN4,N4-DIMETHYL-ASPARAGINEA,B,C,D,E,F,
G,H
1NJT0.81
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NJU0.81
DMHN4,N4-DIMETHYL-ASPARAGINEY,Z1JQ70.81
DMHN4,N4-DIMETHYL-ASPARAGINEC1NKM0.81
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
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.71
6PR(S)-4-AMINO-4-OXO-3-(2-PHOSPHONOACETAMIDO)BUTANOIC ACIDA,B,C,D2H3E0.81
XPC(3S,4R)-4-aminopyrrolidine-3-carboxylic acidA,B,D,E,F3FDM0.7
XPC(3S,4R)-4-aminopyrrolidine-3-carboxylic acidA3HF00.7
XPC(3S,4R)-4-aminopyrrolidine-3-carboxylic acidA3C3H0.7
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z260.72
NCDN-CARBAMOYL-L-ASPARTATEA,B1J790.72
NCDN-CARBAMOYL-L-ASPARTATEA,B1XGE0.72
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z290.72
NCDN-CARBAMOYL-L-ASPARTATEA,B,G,H1R0C0.72
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z270.72
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z280.72
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z2A0.72
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z240.72
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z250.72
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.72
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.79
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2E680.76
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B1XGE0.76
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z290.76
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z260.76
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z270.76
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z280.76
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z2A0.76
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z240.76
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z250.76
NLGN-ACETYL-L-GLUTAMATEA1OH90.71
NLGN-ACETYL-L-GLUTAMATEA1OHA0.71
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,I,J,K,L
2BUF0.71
NLGN-ACETYL-L-GLUTAMATEA,B,C,D2RD50.71
NLGN-ACETYL-L-GLUTAMATEA,B2JJ40.71
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,J,K
2V5H0.71
NLGN-ACETYL-L-GLUTAMATEA1GSJ0.71
NLGN-ACETYL-L-GLUTAMATEA3B8G0.71
NLGN-ACETYL-L-GLUTAMATEA1GS50.71
NLGN-ACETYL-L-GLUTAMATEA,B,C2BTY0.71
MENN-METHYL ASPARAGINEA,B,K,L1B8D0.81
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
1GH00.81
MENN-METHYL ASPARAGINEA,B,C,D1XF60.81
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
H,I,J,K,L,M
1B330.81
MENN-METHYL ASPARAGINEA,B1I7Y0.81
MENN-METHYL ASPARAGINEA,B3BRP0.81
MENN-METHYL ASPARAGINEA,B1JBO0.81
MENN-METHYL ASPARAGINEA,B1ALL0.81
MENN-METHYL ASPARAGINEA,B,K,L1EYX0.81
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
1HA70.81
MENN-METHYL ASPARAGINEA,B,C,D2VJH0.81
MENN-METHYL ASPARAGINEA,B1KTP0.81
MENN-METHYL ASPARAGINEA,B1PHN0.81
MENN-METHYL ASPARAGINEA,B,C,D1QGW0.81
MENN-METHYL ASPARAGINEA,B,C,D1XG00.81
MENN-METHYL ASPARAGINEA,B2VJT0.81
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
K,L,M,N,O,P
2BV80.81
MENN-METHYL ASPARAGINEA,B2V8A0.81
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H
3DBJ0.81
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.76
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.76
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.76
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.76
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.76
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.76
NSKN-SUCCINYL LYSINEA2P8B0.71
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.72
AN0N-ACETYL-L-NORVALINEA1ZQ80.72
SMGN-SUCCINYL METHIONINEA,B,C,D1SJC0.71