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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00482602

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NKK0.71
DMHN4,N4-DIMETHYL-ASPARAGINEA,B,C,D,E,F,
G,H
1NJT0.71
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NJU0.71
DMHN4,N4-DIMETHYL-ASPARAGINEY,Z1JQ70.71
DMHN4,N4-DIMETHYL-ASPARAGINEC1NKM0.71
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
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C1EKX0.77
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q950.77
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1TTH0.77
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1ACM0.77
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1D090.77
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1XJW0.77
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA1ML40.77
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDB,D1I5O0.77
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1F1B0.77
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D8ATC0.77
AYAN-ACETYLALANINEA1D0W0.74
AYAN-ACETYLALANINEA1AH40.74
AYAN-ACETYLALANINEA,B1VBP0.74
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1J4T0.74
AYAN-ACETYLALANINEA,B,C,D1OUW0.74
AYAN-ACETYLALANINEA1AH30.74
AYAN-ACETYLALANINEA1EKO0.74
AYAN-ACETYLALANINEB,D,F,H2V4I0.74
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1VBO0.74
AYAN-ACETYLALANINEA,B,C,D1J4U0.74
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1OEX0.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWX0.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVW0.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVX0.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWW0.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1GKT0.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWC0.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVV0.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVT0.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2VS20.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA1OEW0.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVU0.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJJ0.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJI0.75
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.71
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.72
BAA(TERT-BUTYLOXYCARBONYL)-ALANYL-
ALANYL-AMINE
A1ELG0.71
1583-(2-MERCAPTO-ACETYLAMINO)-4-OXO-
PENTANOIC ACID
A,B1NME0.71
1583-(2-MERCAPTO-ACETYLAMINO)-4-OXO-
PENTANOIC ACID
A1RWK0.71
MENN-METHYL ASPARAGINEA,B,K,L1B8D0.74
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
1GH00.74
MENN-METHYL ASPARAGINEA,B,C,D1XF60.74
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
H,I,J,K,L,M
1B330.74
MENN-METHYL ASPARAGINEA,B1I7Y0.74
MENN-METHYL ASPARAGINEA,B3BRP0.74
MENN-METHYL ASPARAGINEA,B1JBO0.74
MENN-METHYL ASPARAGINEA,B1ALL0.74
MENN-METHYL ASPARAGINEA,B,K,L1EYX0.74
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
1HA70.74
MENN-METHYL ASPARAGINEA,B,C,D2VJH0.74
MENN-METHYL ASPARAGINEA,B1KTP0.74
MENN-METHYL ASPARAGINEA,B1PHN0.74
MENN-METHYL ASPARAGINEA,B,C,D1QGW0.74
MENN-METHYL ASPARAGINEA,B,C,D1XG00.74
MENN-METHYL ASPARAGINEA,B2VJT0.74
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
K,L,M,N,O,P
2BV80.74
MENN-METHYL ASPARAGINEA,B2V8A0.74
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H
3DBJ0.74
NSNN~2~-(2-AMINO-1-METHYL-2-OXOETHYLIDENE)ASPARAGINATEA1UHE0.71
1IPN~2~-(PHOSPHONOACETYL)-L-ASPARAGINEA,B,C,D2IPO0.72
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE
A1IKI0.7
6PR(S)-4-AMINO-4-OXO-3-(2-PHOSPHONOACETAMIDO)BUTANOIC ACIDA,B,C,D2H3E0.75
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.72
C6LN-hexanoyl-L-homoserineA3DHA0.72
C6LN-hexanoyl-L-homoserineA3DHB0.72
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.74
AN0N-ACETYL-L-NORVALINEA1ZQ80.74
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z260.82
NCDN-CARBAMOYL-L-ASPARTATEA,B1J790.82
NCDN-CARBAMOYL-L-ASPARTATEA,B1XGE0.82
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z290.82
NCDN-CARBAMOYL-L-ASPARTATEA,B,G,H1R0C0.82
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z270.82
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z280.82
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z2A0.82
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z240.82
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z250.82
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D2GGH0.7
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D1XPY0.7
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.7