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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02336266

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
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
SMGN-SUCCINYL METHIONINEA,B,C,D1SJC0.74
RGS4N-MALONYL-CYSTEINYL-2,4-DIAMINOBUTYRATE DISULFIDEA4GR10.75
76VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE
A2DCB0.7
2Z9N-acetyl-L-alpha-aspartyl-L-alpha-
glutamyl-N-[(1R)-2-carboxy-1-formylethyl]-
L-valinamide
A,B3H1P0.71
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1OEX0.74
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWX0.74
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVW0.74
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVX0.74
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWW0.74
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1GKT0.74
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWC0.74
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVV0.74
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVT0.74
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2VS20.74
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA1OEW0.74
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVU0.74
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJJ0.74
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJI0.74
C6LN-hexanoyl-L-homoserineA3DHA0.76
C6LN-hexanoyl-L-homoserineA3DHB0.76
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.78
THCN-METHYLCARBONYLTHREONINEB2HR00.78
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.78
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.78
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.77
PT3N-PROPYL-TARTRAMIC ACIDA,B,C,D2HPA0.76
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1AEC0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B2PRE0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1CV80.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A3C9E0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B3BCN0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1ATK0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B,C,D3BPF0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1TLO0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1QX60.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1MEG0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B,C,D2BDZ0.71
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.73
C99{(2R)-2-[(1S,2R)-1-AMINO-2-HYDROXYPROPYL]-
2-HYDROXY-4,5-DIOXOIMIDAZOLIDIN-
1-YL}ACETIC ACID
A2HCG0.71
5FP5,5,5-TRIFLUORO-3-HYDROXY-4-[2-
(5,5,5-TRIFLUORO-3-HYDROXY-4-{3-
METHYL-2-[3-METHYL-2-(3-METHYL-
BUTYRYLAMINO)-BUTYRYLAMINO]-BUTYRYLAMINO}-
PENTANOYLAMINO)-PROPIONYLAMINO]-
PENTANOIC ACID
A,B1XE60.72
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.71
AN0N-ACETYL-L-NORVALINEA1ZQ80.71
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PPP0.79
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PE60.79
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1ITO0.79
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine
A,B,C3B800.7
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine
A,B,C3B7V0.7
6PR(S)-4-AMINO-4-OXO-3-(2-PHOSPHONOACETAMIDO)BUTANOIC ACIDA,B,C,D2H3E0.79
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
5FE5,5,5-TRIFLUORO-3-HYDROXY-4-[2-
(5,5,5-TRIFLUORO-3-HYDROXY-4-{3-
METHYL-2-[3-METHYL-2-(3-METHYL-
BUTYRYLAMINO)-BUTYRYLAMINO]-BUTYRYLAMINO}-
PENTANOYLAMINO)-PROPIONYLAMINO]-
PENTANOIC ACID METHYL ESTER
A,B1XE50.71
AHBBETA-HYDROXYASPARAGINEA1DSR0.73
AHBBETA-HYDROXYASPARAGINEA,G1NT00.73
AHBBETA-HYDROXYASPARAGINEA2ZGD0.73
AHBBETA-HYDROXYASPARAGINEA,B2QC90.73
AHBBETA-HYDROXYASPARAGINEA2OG70.73
MENN-METHYL ASPARAGINEA,B,K,L1B8D0.76
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
1GH00.76
MENN-METHYL ASPARAGINEA,B,C,D1XF60.76
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
H,I,J,K,L,M
1B330.76
MENN-METHYL ASPARAGINEA,B1I7Y0.76
MENN-METHYL ASPARAGINEA,B3BRP0.76
MENN-METHYL ASPARAGINEA,B1JBO0.76
MENN-METHYL ASPARAGINEA,B1ALL0.76
MENN-METHYL ASPARAGINEA,B,K,L1EYX0.76
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
1HA70.76
MENN-METHYL ASPARAGINEA,B,C,D2VJH0.76
MENN-METHYL ASPARAGINEA,B1KTP0.76
MENN-METHYL ASPARAGINEA,B1PHN0.76
MENN-METHYL ASPARAGINEA,B,C,D1QGW0.76
MENN-METHYL ASPARAGINEA,B,C,D1XG00.76
MENN-METHYL ASPARAGINEA,B2VJT0.76
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
K,L,M,N,O,P
2BV80.76
MENN-METHYL ASPARAGINEA,B2V8A0.76
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H
3DBJ0.76
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.77
074[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-
DIONYL]-ISOLEUCYL-PROLINE
A1QDQ0.71
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
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.72
PCV5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-
1-YL)-PENTANOIC ACID
A1DRT0.74
1IPN~2~-(PHOSPHONOACETYL)-L-ASPARAGINEA,B,C,D2IPO0.76
LAA(3R)-3-hydroxy-L-alpha-asparagineA1CCF0.76
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NKK0.73
DMHN4,N4-DIMETHYL-ASPARAGINEA,B,C,D,E,F,
G,H
1NJT0.73
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NJU0.73
DMHN4,N4-DIMETHYL-ASPARAGINEY,Z1JQ70.73
DMHN4,N4-DIMETHYL-ASPARAGINEC1NKM0.73
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
NSKN-SUCCINYL LYSINEA2P8B0.76
75VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE
A2DCA0.72
042N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-THREONYL-L-ISOLEUCINE
A2DC70.72
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.79
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.79
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.79
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.79
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.79
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.79
SUJ(2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY-
2-OXOPIPERIDINYL]-3-HYDROXYBUTANOIC ACID
C,D1OKX0.72