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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01872035

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE
A1IKG0.71
OLN(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACIDA1YH10.72
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.85
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.85
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.85
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.85
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.85
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.85
AFAN-[7-METHYL-OCT-2,4-DIENOYL]ASPARAGINEA1DSR0.73
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NKK0.81
DMHN4,N4-DIMETHYL-ASPARAGINEA,B,C,D,E,F,
G,H
1NJT0.81
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NJU0.81
DMHN4,N4-DIMETHYL-ASPARAGINEY,Z1JQ70.81
DMHN4,N4-DIMETHYL-ASPARAGINEC1NKM0.81
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B1O5K0.71
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B3CPR0.71
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B2VC60.71
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.7
THCN-METHYLCARBONYLTHREONINEB2HR00.7
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.7
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.7
SUGN~2~-(3-CARBOXYPROPANOYL)-L-ARGININEA,B,C,D1YNI0.72
SUGN~2~-(3-CARBOXYPROPANOYL)-L-ARGININEA2P8C0.72
AYAN-ACETYLALANINEA1D0W0.73
AYAN-ACETYLALANINEA1AH40.73
AYAN-ACETYLALANINEA,B1VBP0.73
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1J4T0.73
AYAN-ACETYLALANINEA,B,C,D1OUW0.73
AYAN-ACETYLALANINEA1AH30.73
AYAN-ACETYLALANINEA1EKO0.73
AYAN-ACETYLALANINEB,D,F,H2V4I0.73
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1VBO0.73
AYAN-ACETYLALANINEA,B,C,D1J4U0.73
OPIPANTOTHENYL-AMINOETHANOL-11-PIVALIC ACIDA,B,C,D2VU10.73
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE
A1IKI0.72
MENN-METHYL ASPARAGINEA,B,K,L1B8D0.84
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
1GH00.84
MENN-METHYL ASPARAGINEA,B,C,D1XF60.84
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
H,I,J,K,L,M
1B330.84
MENN-METHYL ASPARAGINEA,B1I7Y0.84
MENN-METHYL ASPARAGINEA,B3BRP0.84
MENN-METHYL ASPARAGINEA,B1JBO0.84
MENN-METHYL ASPARAGINEA,B1ALL0.84
MENN-METHYL ASPARAGINEA,B,K,L1EYX0.84
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
1HA70.84
MENN-METHYL ASPARAGINEA,B,C,D2VJH0.84
MENN-METHYL ASPARAGINEA,B1KTP0.84
MENN-METHYL ASPARAGINEA,B1PHN0.84
MENN-METHYL ASPARAGINEA,B,C,D1QGW0.84
MENN-METHYL ASPARAGINEA,B,C,D1XG00.84
MENN-METHYL ASPARAGINEA,B2VJT0.84
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
K,L,M,N,O,P
2BV80.84
MENN-METHYL ASPARAGINEA,B2V8A0.84
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H
3DBJ0.84
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.82
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B2J9P0.74
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B,C,D2VGK0.74
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2E680.79
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B1XGE0.79
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z290.79
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z260.79
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z270.79
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z280.79
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z2A0.79
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z240.79
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z250.79
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.75
AN0N-ACETYL-L-NORVALINEA1ZQ80.75
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.72
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PPP0.73
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PE60.73
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1ITO0.73
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
SIC(2R)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-
1-yl]-3-sulfanylpropanoic acid
A,B3DIP0.72
6PR(S)-4-AMINO-4-OXO-3-(2-PHOSPHONOACETAMIDO)BUTANOIC ACIDA,B,C,D2H3E0.74
ALYN(6)-ACETYLLYSINEA,B2B4D0.72
ALYN(6)-ACETYLLYSINEA,B2OD90.72
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVR0.72
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVS0.72
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVQ0.72
ALYN(6)-ACETYLLYSINEA,B,C,D2OT70.72
ALYN(6)-ACETYLLYSINEA,B2B5G0.72
ALYN(6)-ACETYLLYSINEA2GIV0.72
ALYN(6)-ACETYLLYSINEB2RNY0.72
ALYN(6)-ACETYLLYSINEA1JSP0.72
ALYN(6)-ACETYLLYSINEA,B,I,L2V5W0.72
ALYN(6)-ACETYLLYSINEA,D3D4B0.72
ALYN(6)-ACETYLLYSINEA,B,C,D2OQ60.72
ALYN(6)-ACETYLLYSINEA,B2R0Y0.72
ALYN(6)-ACETYLLYSINEA3CZ70.72
ALYN(6)-ACETYLLYSINEA1JM40.72
ALYN(6)-ACETYLLYSINEA,B2H4H0.72
ALYN(6)-ACETYLLYSINEA,B2J6V0.72
ALYN(6)-ACETYLLYSINEA,B2R100.72
ALYN(6)-ACETYLLYSINEA,B1YC50.72
ALYN(6)-ACETYLLYSINEA,B,C,D2OX00.72
ALYN(6)-ACETYLLYSINEA,B2H2G0.72
ALYN(6)-ACETYLLYSINEA,D2H4F0.72
ALYN(6)-ACETYLLYSINEA2OU20.72
ALYN(6)-ACETYLLYSINEA,B1S5P0.72
ALYN(6)-ACETYLLYSINEB2RNW0.72
ALYN(6)-ACETYLLYSINEA3D350.72
ALYN(6)-ACETYLLYSINEA,B2OD20.72
ALYN(6)-ACETYLLYSINEA2ZFN0.72
ALYN(6)-ACETYLLYSINEC,D2C1J0.72
ALYN(6)-ACETYLLYSINEA,B2QQG0.72
ALYN(6)-ACETYLLYSINEB2RNX0.72
ALYN(6)-ACETYLLYSINEA,B1MA30.72
ALYN(6)-ACETYLLYSINEA,B2H2H0.72
ALYN(6)-ACETYLLYSINEA2I2Z0.72
ALYN(6)-ACETYLLYSINEA,B2OD70.72
ALYN(6)-ACETYLLYSINEP1E6I0.72
ALYN(6)-ACETYLLYSINEA,B1SZC0.72
ALYN(6)-ACETYLLYSINEA,B,C,D,I,J,
K,L
3EWF0.72
ALYN(6)-ACETYLLYSINEA,B2H2D0.72
ALYN(6)-ACETYLLYSINEA,B1Q1A0.72
ALYN(6)-ACETYLLYSINEA,B1SZD0.72
ALYN(6)-ACETYLLYSINEQ,R2E3K0.72
ALYN(6)-ACETYLLYSINEA2OZU0.72
ALYN(6)-ACETYLLYSINEA,B2QQF0.72
ALYN(6)-ACETYLLYSINEA,B,C2R0V0.72
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
NLGN-ACETYL-L-GLUTAMATEA1OH90.76
NLGN-ACETYL-L-GLUTAMATEA1OHA0.76
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,I,J,K,L
2BUF0.76
NLGN-ACETYL-L-GLUTAMATEA,B,C,D2RD50.76
NLGN-ACETYL-L-GLUTAMATEA,B2JJ40.76
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,J,K
2V5H0.76
NLGN-ACETYL-L-GLUTAMATEA1GSJ0.76
NLGN-ACETYL-L-GLUTAMATEA3B8G0.76
NLGN-ACETYL-L-GLUTAMATEA1GS50.76
NLGN-ACETYL-L-GLUTAMATEA,B,C2BTY0.76
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D2GGH0.74
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D1XPY0.74
NSKN-SUCCINYL LYSINEA2P8B0.81
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.74
1IPN~2~-(PHOSPHONOACETYL)-L-ASPARAGINEA,B,C,D2IPO0.81
SMGN-SUCCINYL METHIONINEA,B,C,D1SJC0.79
168PANTOTHENYL-AMINOETHANOL-ACETATE PIVALIC ACIDA,B,C,D1OU60.71
C6LN-hexanoyl-L-homoserineA3DHA0.74
C6LN-hexanoyl-L-homoserineA3DHB0.74
RGS4N-MALONYL-CYSTEINYL-2,4-DIAMINOBUTYRATE DISULFIDEA4GR10.71
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1OEX0.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWX0.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVW0.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVX0.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWW0.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1GKT0.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWC0.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVV0.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVT0.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2VS20.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA1OEW0.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVU0.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJJ0.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJI0.76
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.77
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.82
DSGD-ASPARAGINEA,B2Q330.74
DSGD-ASPARAGINEA2IH00.74
DSGD-ASPARAGINEA2JUE0.74
DSGD-ASPARAGINEA1A850.74
DSGD-ASPARAGINEA1T5N0.74
DSGD-ASPARAGINEA2IGZ0.74
DSGD-ASPARAGINEA,B,C,D3BOG0.74
DSGD-ASPARAGINEA1T5M0.74
DSGD-ASPARAGINEA,B1HXB0.74