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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00568689

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SIC(2R)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-
1-yl]-3-sulfanylpropanoic acid
A,B3DIP0.71
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C1EKX0.72
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q950.72
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1TTH0.72
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1ACM0.72
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1D090.72
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1XJW0.72
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA1ML40.72
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDB,D1I5O0.72
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1F1B0.72
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D8ATC0.72
NC44-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACIDA1ZD30.73
CDT4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACIDA,B1UF50.73
NXAN-CARBOXYALANINEA2IUX0.7
NXAN-CARBOXYALANINEA1O8A0.7
DSGD-ASPARAGINEA,B2Q330.79
DSGD-ASPARAGINEA2IH00.79
DSGD-ASPARAGINEA2JUE0.79
DSGD-ASPARAGINEA1A850.79
DSGD-ASPARAGINEA1T5N0.79
DSGD-ASPARAGINEA2IGZ0.79
DSGD-ASPARAGINEA,B,C,D3BOG0.79
DSGD-ASPARAGINEA1T5M0.79
DSGD-ASPARAGINEA,B1HXB0.79
MENN-METHYL ASPARAGINEA,B,K,L1B8D0.86
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
1GH00.86
MENN-METHYL ASPARAGINEA,B,C,D1XF60.86
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
H,I,J,K,L,M
1B330.86
MENN-METHYL ASPARAGINEA,B1I7Y0.86
MENN-METHYL ASPARAGINEA,B3BRP0.86
MENN-METHYL ASPARAGINEA,B1JBO0.86
MENN-METHYL ASPARAGINEA,B1ALL0.86
MENN-METHYL ASPARAGINEA,B,K,L1EYX0.86
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
1HA70.86
MENN-METHYL ASPARAGINEA,B,C,D2VJH0.86
MENN-METHYL ASPARAGINEA,B1KTP0.86
MENN-METHYL ASPARAGINEA,B1PHN0.86
MENN-METHYL ASPARAGINEA,B,C,D1QGW0.86
MENN-METHYL ASPARAGINEA,B,C,D1XG00.86
MENN-METHYL ASPARAGINEA,B2VJT0.86
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
K,L,M,N,O,P
2BV80.86
MENN-METHYL ASPARAGINEA,B2V8A0.86
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H
3DBJ0.86
SMGN-SUCCINYL METHIONINEA,B,C,D1SJC0.75
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.79
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.79
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.85
AYAN-ACETYLALANINEA1D0W0.72
AYAN-ACETYLALANINEA1AH40.72
AYAN-ACETYLALANINEA,B1VBP0.72
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1J4T0.72
AYAN-ACETYLALANINEA,B,C,D1OUW0.72
AYAN-ACETYLALANINEA1AH30.72
AYAN-ACETYLALANINEA1EKO0.72
AYAN-ACETYLALANINEB,D,F,H2V4I0.72
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1VBO0.72
AYAN-ACETYLALANINEA,B,C,D1J4U0.72
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.71
NSKN-SUCCINYL LYSINEA2P8B0.78
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NKK0.83
DMHN4,N4-DIMETHYL-ASPARAGINEA,B,C,D,E,F,
G,H
1NJT0.83
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NJU0.83
DMHN4,N4-DIMETHYL-ASPARAGINEY,Z1JQ70.83
DMHN4,N4-DIMETHYL-ASPARAGINEC1NKM0.83
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2E680.89
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B1XGE0.89
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z290.89
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z260.89
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z270.89
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z280.89
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z2A0.89
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z240.89
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z250.89
NCBN-CARBAMOYL-ALANINEA,B,C,D,E,F,
G,H,I,J
1QMV0.78
6PR(S)-4-AMINO-4-OXO-3-(2-PHOSPHONOACETAMIDO)BUTANOIC ACIDA,B,C,D2H3E0.75
URPN-(AMINOCARBONYL)-BETA-ALANINEA,B,C,D2V8V0.71
URPN-(AMINOCARBONYL)-BETA-ALANINEA,B,C,D2FVM0.71
URPN-(AMINOCARBONYL)-BETA-ALANINEA,B,C,D2V8H0.71
SUGN~2~-(3-CARBOXYPROPANOYL)-L-ARGININEA,B,C,D1YNI0.76
SUGN~2~-(3-CARBOXYPROPANOYL)-L-ARGININEA2P8C0.76
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.75
AN0N-ACETYL-L-NORVALINEA1ZQ80.75
1IPN~2~-(PHOSPHONOACETYL)-L-ASPARAGINEA,B,C,D2IPO0.83
NNHNOR-N-OMEGA-HYDROXY-L-ARGININEA,B,C1HQH0.73
OLN(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACIDA1YH10.76
CIRCITRULLINEA,B,C,D1J210.74
CIRCITRULLINEB1KOD0.74
CIRCITRULLINEA,B,C3B3I0.74
CIRCITRULLINEC3DTX0.74
CIRCITRULLINEA2C6Z0.74
CIRCITRULLINEA,C,E,F2W650.74
CIRCITRULLINEA,B2JAI0.74
CIRCITRULLINEP3FT20.74
CIRCITRULLINEA,B,C,D1J1Z0.74
CIRCITRULLINEA,B1LXY0.74
CIRCITRULLINEF,H1OL10.74
CIRCITRULLINEA1KP30.74
CIRCITRULLINEA2NZ20.74
CIRCITRULLINEA1H700.74
CIRCITRULLINEA1K970.74
CIRCITRULLINEC3B6S0.74
NLGN-ACETYL-L-GLUTAMATEA1OH90.76
NLGN-ACETYL-L-GLUTAMATEA1OHA0.76
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,I,J,K,L
2BUF0.76
NLGN-ACETYL-L-GLUTAMATEA,B,C,D2RD50.76
NLGN-ACETYL-L-GLUTAMATEA,B2JJ40.76
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,J,K
2V5H0.76
NLGN-ACETYL-L-GLUTAMATEA1GSJ0.76
NLGN-ACETYL-L-GLUTAMATEA3B8G0.76
NLGN-ACETYL-L-GLUTAMATEA1GS50.76
NLGN-ACETYL-L-GLUTAMATEA,B,C2BTY0.76
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D2GGH0.74
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D1XPY0.74
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.81
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.81
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.81
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.81
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.81
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.81
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1OEX0.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWX0.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVW0.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVX0.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWW0.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1GKT0.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWC0.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVV0.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVT0.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2VS20.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA1OEW0.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVU0.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJJ0.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJI0.76
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z260.88
NCDN-CARBAMOYL-L-ASPARTATEA,B1J790.88
NCDN-CARBAMOYL-L-ASPARTATEA,B1XGE0.88
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z290.88
NCDN-CARBAMOYL-L-ASPARTATEA,B,G,H1R0C0.88
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z270.88
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z280.88
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z2A0.88
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z240.88
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z250.88
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.73
DAB2,4-DIAMINOBUTYRIC ACIDA,B,C,D1J730.71
DAB2,4-DIAMINOBUTYRIC ACIDA1JDK0.71
DAB2,4-DIAMINOBUTYRIC ACIDA,B,C,D3D3S0.71
DAB2,4-DIAMINOBUTYRIC ACIDA,B3DS90.71
DAB2,4-DIAMINOBUTYRIC ACIDA1J9V0.71
DAB2,4-DIAMINOBUTYRIC ACIDA2PM10.71
DAB2,4-DIAMINOBUTYRIC ACIDA1JAR0.71
DAB2,4-DIAMINOBUTYRIC ACIDA,B1B4H0.71