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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03927370

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
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.71
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
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
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
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine
A,B,C3B800.75
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine
A,B,C3B7V0.75
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.71
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PPP0.8
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PE60.8
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1ITO0.8
LAA(3R)-3-hydroxy-L-alpha-asparagineA1CCF0.74
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
AHBBETA-HYDROXYASPARAGINEA1DSR0.71
AHBBETA-HYDROXYASPARAGINEA,G1NT00.71
AHBBETA-HYDROXYASPARAGINEA2ZGD0.71
AHBBETA-HYDROXYASPARAGINEA,B2QC90.71
AHBBETA-HYDROXYASPARAGINEA2OG70.71
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.71
AN0N-ACETYL-L-NORVALINEA1ZQ80.71
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.84
THCN-METHYLCARBONYLTHREONINEB2HR00.84
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.84
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.84
U17METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]-
L-SERYL-L-LEUCINATE
A2GGB0.72
074[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-
DIONYL]-ISOLEUCYL-PROLINE
A1QDQ0.73
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
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE
A1IKI0.7
ATIN-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACIDA1Y0Y0.76
C99{(2R)-2-[(1S,2R)-1-AMINO-2-HYDROXYPROPYL]-
2-HYDROXY-4,5-DIOXOIMIDAZOLIDIN-
1-YL}ACETIC ACID
A2HCG0.75
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1AEC0.72
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B2PRE0.72
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1CV80.72
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A3C9E0.72
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B3BCN0.72
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1ATK0.72
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B,C,D3BPF0.72
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1TLO0.72
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1QX60.72
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1MEG0.72
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B,C,D2BDZ0.72
PT3N-PROPYL-TARTRAMIC ACIDA,B,C,D2HPA0.77
76VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE
A2DCB0.71
MENN-METHYL ASPARAGINEA,B,K,L1B8D0.71
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
1GH00.71
MENN-METHYL ASPARAGINEA,B,C,D1XF60.71
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
H,I,J,K,L,M
1B330.71
MENN-METHYL ASPARAGINEA,B1I7Y0.71
MENN-METHYL ASPARAGINEA,B3BRP0.71
MENN-METHYL ASPARAGINEA,B1JBO0.71
MENN-METHYL ASPARAGINEA,B1ALL0.71
MENN-METHYL ASPARAGINEA,B,K,L1EYX0.71
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
1HA70.71
MENN-METHYL ASPARAGINEA,B,C,D2VJH0.71
MENN-METHYL ASPARAGINEA,B1KTP0.71
MENN-METHYL ASPARAGINEA,B1PHN0.71
MENN-METHYL ASPARAGINEA,B,C,D1QGW0.71
MENN-METHYL ASPARAGINEA,B,C,D1XG00.71
MENN-METHYL ASPARAGINEA,B2VJT0.71
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
K,L,M,N,O,P
2BV80.71
MENN-METHYL ASPARAGINEA,B2V8A0.71
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H
3DBJ0.71
SUJ(2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY-
2-OXOPIPERIDINYL]-3-HYDROXYBUTANOIC ACID
C,D1OKX0.74
PAUPANTOTHENOIC ACIDA,B2F9W0.73
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BF10.73
PAUPANTOTHENOIC ACIDA,B,C,D1SQ50.73
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BEX0.73
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
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.7
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.71
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
6PR(S)-4-AMINO-4-OXO-3-(2-PHOSPHONOACETAMIDO)BUTANOIC ACIDA,B,C,D2H3E0.72
PCV5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-
1-YL)-PENTANOIC ACID
A1DRT0.77