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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03206581

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.75
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.75
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.75
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.75
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.75
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.75
NSKN-SUCCINYL LYSINEA2P8B0.73
OPIPANTOTHENYL-AMINOETHANOL-11-PIVALIC ACIDA,B,C,D2VU10.72
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z260.74
NCDN-CARBAMOYL-L-ASPARTATEA,B1J790.74
NCDN-CARBAMOYL-L-ASPARTATEA,B1XGE0.74
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z290.74
NCDN-CARBAMOYL-L-ASPARTATEA,B,G,H1R0C0.74
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z270.74
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z280.74
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z2A0.74
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z240.74
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z250.74
NLGN-ACETYL-L-GLUTAMATEA1OH90.7
NLGN-ACETYL-L-GLUTAMATEA1OHA0.7
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,I,J,K,L
2BUF0.7
NLGN-ACETYL-L-GLUTAMATEA,B,C,D2RD50.7
NLGN-ACETYL-L-GLUTAMATEA,B2JJ40.7
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,J,K
2V5H0.7
NLGN-ACETYL-L-GLUTAMATEA1GSJ0.7
NLGN-ACETYL-L-GLUTAMATEA3B8G0.7
NLGN-ACETYL-L-GLUTAMATEA1GS50.7
NLGN-ACETYL-L-GLUTAMATEA,B,C2BTY0.7
PCV5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-
1-YL)-PENTANOIC ACID
A1DRT0.71
PT3N-PROPYL-TARTRAMIC ACIDA,B,C,D2HPA0.83
AHBBETA-HYDROXYASPARAGINEA1DSR0.76
AHBBETA-HYDROXYASPARAGINEA,G1NT00.76
AHBBETA-HYDROXYASPARAGINEA2ZGD0.76
AHBBETA-HYDROXYASPARAGINEA,B2QC90.76
AHBBETA-HYDROXYASPARAGINEA2OG70.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1OEX0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWX0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVW0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVX0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWW0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1GKT0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWC0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVV0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVT0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2VS20.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA1OEW0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVU0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJJ0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJI0.7
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
1IPN~2~-(PHOSPHONOACETYL)-L-ASPARAGINEA,B,C,D2IPO0.77
SMGN-SUCCINYL METHIONINEA,B,C,D1SJC0.7
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.81
6PR(S)-4-AMINO-4-OXO-3-(2-PHOSPHONOACETAMIDO)BUTANOIC ACIDA,B,C,D2H3E0.73
PAUPANTOTHENOIC ACIDA,B2F9W0.74
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BF10.74
PAUPANTOTHENOIC ACIDA,B,C,D1SQ50.74
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BEX0.74
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.76
THCN-METHYLCARBONYLTHREONINEB2HR00.76
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.76
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.76
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
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PPP0.72
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PE60.72
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1ITO0.72
DSGD-ASPARAGINEA,B2Q330.73
DSGD-ASPARAGINEA2IH00.73
DSGD-ASPARAGINEA2JUE0.73
DSGD-ASPARAGINEA1A850.73
DSGD-ASPARAGINEA1T5N0.73
DSGD-ASPARAGINEA2IGZ0.73
DSGD-ASPARAGINEA,B,C,D3BOG0.73
DSGD-ASPARAGINEA1T5M0.73
DSGD-ASPARAGINEA,B1HXB0.73
168PANTOTHENYL-AMINOETHANOL-ACETATE PIVALIC ACIDA,B,C,D1OU60.71
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.74
LAA(3R)-3-hydroxy-L-alpha-asparagineA1CCF0.79
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
C6LN-hexanoyl-L-homoserineA3DHA0.73
C6LN-hexanoyl-L-homoserineA3DHB0.73