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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02337013

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
C6LN-hexanoyl-L-homoserineA3DHA0.79
C6LN-hexanoyl-L-homoserineA3DHB0.79
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
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2E680.72
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B1XGE0.72
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z290.72
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z260.72
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z270.72
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z280.72
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z2A0.72
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z240.72
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z250.72
ATIN-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACIDA1Y0Y0.7
SMGN-SUCCINYL METHIONINEA,B,C,D1SJC0.74
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
OHNN-3-OXO-DODECANOYL-L-HOMOSERINE LACTONEE,F,G,H2UV00.71
168PANTOTHENYL-AMINOETHANOL-ACETATE PIVALIC ACIDA,B,C,D1OU60.74
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.77
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.71
AN0N-ACETYL-L-NORVALINEA1ZQ80.71
HTFN-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDEA2AVX0.72
NSKN-SUCCINYL LYSINEA2P8B0.77
PAUPANTOTHENOIC ACIDA,B2F9W0.71
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BF10.71
PAUPANTOTHENOIC ACIDA,B,C,D1SQ50.71
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BEX0.71
OPIPANTOTHENYL-AMINOETHANOL-11-PIVALIC ACIDA,B,C,D2VU10.74
1IPN~2~-(PHOSPHONOACETYL)-L-ASPARAGINEA,B,C,D2IPO0.77
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PPP0.71
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PE60.71
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1ITO0.71
MENN-METHYL ASPARAGINEA,B,K,L1B8D0.79
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
1GH00.79
MENN-METHYL ASPARAGINEA,B,C,D1XF60.79
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
H,I,J,K,L,M
1B330.79
MENN-METHYL ASPARAGINEA,B1I7Y0.79
MENN-METHYL ASPARAGINEA,B3BRP0.79
MENN-METHYL ASPARAGINEA,B1JBO0.79
MENN-METHYL ASPARAGINEA,B1ALL0.79
MENN-METHYL ASPARAGINEA,B,K,L1EYX0.79
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
1HA70.79
MENN-METHYL ASPARAGINEA,B,C,D2VJH0.79
MENN-METHYL ASPARAGINEA,B1KTP0.79
MENN-METHYL ASPARAGINEA,B1PHN0.79
MENN-METHYL ASPARAGINEA,B,C,D1QGW0.79
MENN-METHYL ASPARAGINEA,B,C,D1XG00.79
MENN-METHYL ASPARAGINEA,B2VJT0.79
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
K,L,M,N,O,P
2BV80.79
MENN-METHYL ASPARAGINEA,B2V8A0.79
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H
3DBJ0.79
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.73
LAE3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-
FURAN-3-YL)-AMIDE
A,B,C,D1L3L0.72
LAE3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-
FURAN-3-YL)-AMIDE
A,B2Q0O0.72
76VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE
A2DCB0.71
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.78
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.8
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.8
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.8
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.8
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.8
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.8
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.71
THCN-METHYLCARBONYLTHREONINEB2HR00.71
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.71
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.71
AA1[1-(4-ETHOXY-4-OXOBUTANOYL)HYDRAZINO]ACETIC ACIDI2C1E0.75
AA1[1-(4-ETHOXY-4-OXOBUTANOYL)HYDRAZINO]ACETIC ACIDI2C2K0.75
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D2GGH0.7
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D1XPY0.7
042N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-THREONYL-L-ISOLEUCINE
A2DC70.7
0AGN-(ethoxycarbonyl)-L-leucineI,J1PSA0.71
75VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE
A2DCA0.72
59AN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCINE
A2DC80.73
6PR(S)-4-AMINO-4-OXO-3-(2-PHOSPHONOACETAMIDO)BUTANOIC ACIDA,B,C,D2H3E0.72