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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00023953

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1IPN~2~-(PHOSPHONOACETYL)-L-ASPARAGINEA,B,C,D2IPO0.75
AA1[1-(4-ETHOXY-4-OXOBUTANOYL)HYDRAZINO]ACETIC ACIDI2C1E0.71
AA1[1-(4-ETHOXY-4-OXOBUTANOYL)HYDRAZINO]ACETIC ACIDI2C2K0.71
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.71
DZEmethyl (3S)-3-[(tert-butoxycarbonyl)amino]-
4-oxopentanoate
A,B,C,D3GJR0.72
NSKN-SUCCINYL LYSINEA2P8B0.7
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2E680.73
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B1XGE0.73
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z290.73
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z260.73
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z270.73
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z280.73
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z2A0.73
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z240.73
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z250.73
SMGN-SUCCINYL METHIONINEA,B,C,D1SJC0.7
DSGD-ASPARAGINEA,B2Q330.7
DSGD-ASPARAGINEA2IH00.7
DSGD-ASPARAGINEA2JUE0.7
DSGD-ASPARAGINEA1A850.7
DSGD-ASPARAGINEA1T5N0.7
DSGD-ASPARAGINEA2IGZ0.7
DSGD-ASPARAGINEA,B,C,D3BOG0.7
DSGD-ASPARAGINEA1T5M0.7
DSGD-ASPARAGINEA,B1HXB0.7
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.76
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
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NKK0.77
DMHN4,N4-DIMETHYL-ASPARAGINEA,B,C,D,E,F,
G,H
1NJT0.77
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NJU0.77
DMHN4,N4-DIMETHYL-ASPARAGINEY,Z1JQ70.77
DMHN4,N4-DIMETHYL-ASPARAGINEC1NKM0.77
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
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z260.71
NCDN-CARBAMOYL-L-ASPARTATEA,B1J790.71
NCDN-CARBAMOYL-L-ASPARTATEA,B1XGE0.71
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z290.71
NCDN-CARBAMOYL-L-ASPARTATEA,B,G,H1R0C0.71
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z270.71
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z280.71
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z2A0.71
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z240.71
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z250.71
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1OEX0.71
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWX0.71
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVW0.71
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVX0.71
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWW0.71
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1GKT0.71
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWC0.71
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVV0.71
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVT0.71
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2VS20.71
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA1OEW0.71
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVU0.71
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJJ0.71
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJI0.71
0AGN-(ethoxycarbonyl)-L-leucineI,J1PSA0.71
MENN-METHYL ASPARAGINEA,B,K,L1B8D0.8
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
1GH00.8
MENN-METHYL ASPARAGINEA,B,C,D1XF60.8
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
H,I,J,K,L,M
1B330.8
MENN-METHYL ASPARAGINEA,B1I7Y0.8
MENN-METHYL ASPARAGINEA,B3BRP0.8
MENN-METHYL ASPARAGINEA,B1JBO0.8
MENN-METHYL ASPARAGINEA,B1ALL0.8
MENN-METHYL ASPARAGINEA,B,K,L1EYX0.8
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
1HA70.8
MENN-METHYL ASPARAGINEA,B,C,D2VJH0.8
MENN-METHYL ASPARAGINEA,B1KTP0.8
MENN-METHYL ASPARAGINEA,B1PHN0.8
MENN-METHYL ASPARAGINEA,B,C,D1QGW0.8
MENN-METHYL ASPARAGINEA,B,C,D1XG00.8
MENN-METHYL ASPARAGINEA,B2VJT0.8
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
K,L,M,N,O,P
2BV80.8
MENN-METHYL ASPARAGINEA,B2V8A0.8
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H
3DBJ0.8