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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00483398

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
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NKK0.76
DMHN4,N4-DIMETHYL-ASPARAGINEA,B,C,D,E,F,
G,H
1NJT0.76
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NJU0.76
DMHN4,N4-DIMETHYL-ASPARAGINEY,Z1JQ70.76
DMHN4,N4-DIMETHYL-ASPARAGINEC1NKM0.76
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z260.75
NCDN-CARBAMOYL-L-ASPARTATEA,B1J790.75
NCDN-CARBAMOYL-L-ASPARTATEA,B1XGE0.75
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z290.75
NCDN-CARBAMOYL-L-ASPARTATEA,B,G,H1R0C0.75
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z270.75
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z280.75
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z2A0.75
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z240.75
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z250.75
RGS4N-MALONYL-CYSTEINYL-2,4-DIAMINOBUTYRATE DISULFIDEA4GR10.75
MENN-METHYL ASPARAGINEA,B,K,L1B8D0.78
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
1GH00.78
MENN-METHYL ASPARAGINEA,B,C,D1XF60.78
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
H,I,J,K,L,M
1B330.78
MENN-METHYL ASPARAGINEA,B1I7Y0.78
MENN-METHYL ASPARAGINEA,B3BRP0.78
MENN-METHYL ASPARAGINEA,B1JBO0.78
MENN-METHYL ASPARAGINEA,B1ALL0.78
MENN-METHYL ASPARAGINEA,B,K,L1EYX0.78
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
1HA70.78
MENN-METHYL ASPARAGINEA,B,C,D2VJH0.78
MENN-METHYL ASPARAGINEA,B1KTP0.78
MENN-METHYL ASPARAGINEA,B1PHN0.78
MENN-METHYL ASPARAGINEA,B,C,D1QGW0.78
MENN-METHYL ASPARAGINEA,B,C,D1XG00.78
MENN-METHYL ASPARAGINEA,B2VJT0.78
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
K,L,M,N,O,P
2BV80.78
MENN-METHYL ASPARAGINEA,B2V8A0.78
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H
3DBJ0.78
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.78
THCN-METHYLCARBONYLTHREONINEB2HR00.78
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.78
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.78
NSKN-SUCCINYL LYSINEA2P8B0.74
PT3N-PROPYL-TARTRAMIC ACIDA,B,C,D2HPA0.76
SMGN-SUCCINYL METHIONINEA,B,C,D1SJC0.72
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2E680.74
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B1XGE0.74
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z290.74
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z260.74
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z270.74
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z280.74
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z2A0.74
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z240.74
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z250.74
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.71
AN0N-ACETYL-L-NORVALINEA1ZQ80.71
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1OEX0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWX0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVW0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVX0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWW0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1GKT0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWC0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVV0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVT0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2VS20.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA1OEW0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVU0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJJ0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJI0.77
6PR(S)-4-AMINO-4-OXO-3-(2-PHOSPHONOACETAMIDO)BUTANOIC ACIDA,B,C,D2H3E0.79
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.77
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.77
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.77
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.77
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.77
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.77
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.7
AHBBETA-HYDROXYASPARAGINEA1DSR0.75
AHBBETA-HYDROXYASPARAGINEA,G1NT00.75
AHBBETA-HYDROXYASPARAGINEA2ZGD0.75
AHBBETA-HYDROXYASPARAGINEA,B2QC90.75
AHBBETA-HYDROXYASPARAGINEA2OG70.75
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
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C1EKX0.71
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q950.71
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1TTH0.71
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1ACM0.71
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1D090.71
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1XJW0.71
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA1ML40.71
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDB,D1I5O0.71
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1F1B0.71
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D8ATC0.71
SIC(2R)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-
1-yl]-3-sulfanylpropanoic acid
A,B3DIP0.72
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.8
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PPP0.77
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PE60.77
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1ITO0.77
LAA(3R)-3-hydroxy-L-alpha-asparagineA1CCF0.76
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.75
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.76
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.76
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.76
SACN-ACETYL-SERINEA1R4U0.76
SACN-ACETYL-SERINEA,B,C,D1WS30.76
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H
1XY30.76
SACN-ACETYL-SERINEA,B1EVU0.76
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H
1R560.76
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.76
SACN-ACETYL-SERINEA1WRR0.76
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.76
SACN-ACETYL-SERINEA,B3CVQ0.76
SACN-ACETYL-SERINEA1B0B0.76
SACN-ACETYL-SERINEA1XT40.76
SACN-ACETYL-SERINEA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.76
SACN-ACETYL-SERINEA2FXL0.76
SACN-ACETYL-SERINEA1R4S0.76
SACN-ACETYL-SERINEA,B,C,D1WS20.76
SACN-ACETYL-SERINEA,B,C,D2AUC0.76
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.76
SACN-ACETYL-SERINEA1R510.76
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.76
SACN-ACETYL-SERINEA,B,C,D1XXJ0.76
SACN-ACETYL-SERINET2QAC0.76
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.76
75VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE
A2DCA0.7
C6LN-hexanoyl-L-homoserineA3DHA0.74
C6LN-hexanoyl-L-homoserineA3DHB0.74
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.71
1IPN~2~-(PHOSPHONOACETYL)-L-ASPARAGINEA,B,C,D2IPO0.79
PCV5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-
1-YL)-PENTANOIC ACID
A1DRT0.72