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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00484218

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE
A1IKI0.74
0AGN-(ethoxycarbonyl)-L-leucineI,J1PSA0.73
RGS4N-MALONYL-CYSTEINYL-2,4-DIAMINOBUTYRATE DISULFIDEA4GR10.73
XPC(3S,4R)-4-aminopyrrolidine-3-carboxylic acidA,B,D,E,F3FDM0.74
XPC(3S,4R)-4-aminopyrrolidine-3-carboxylic acidA3HF00.74
XPC(3S,4R)-4-aminopyrrolidine-3-carboxylic acidA3C3H0.74
SUGN~2~-(3-CARBOXYPROPANOYL)-L-ARGININEA,B,C,D1YNI0.7
SUGN~2~-(3-CARBOXYPROPANOYL)-L-ARGININEA2P8C0.7
76VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE
A2DCB0.7
RO4[[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL-
BUTYL]-CARBONYL-LEUCINYL]-ALANINE ETHYL ESTER
A2TCL0.7
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B2J9P0.72
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B,C,D2VGK0.72
1753,5-DIHYDRO-5-METHYLIDENE-4H-IMIDAZOL-
4-ON
A,B,C,D,E,F,
G,H
1T6P0.7
1753,5-DIHYDRO-5-METHYLIDENE-4H-IMIDAZOL-
4-ON
A,B1T6J0.7
OLN(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACIDA1YH10.7
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.71
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
NLGN-ACETYL-L-GLUTAMATEA1OH90.74
NLGN-ACETYL-L-GLUTAMATEA1OHA0.74
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,I,J,K,L
2BUF0.74
NLGN-ACETYL-L-GLUTAMATEA,B,C,D2RD50.74
NLGN-ACETYL-L-GLUTAMATEA,B2JJ40.74
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,J,K
2V5H0.74
NLGN-ACETYL-L-GLUTAMATEA1GSJ0.74
NLGN-ACETYL-L-GLUTAMATEA3B8G0.74
NLGN-ACETYL-L-GLUTAMATEA1GS50.74
NLGN-ACETYL-L-GLUTAMATEA,B,C2BTY0.74
MVAN-METHYLVALINEA209D0.72
MVAN-METHYLVALINEA,B,C,D,E,F,
G,H
3BO70.72
MVAN-METHYLVALINEC1CWH0.72
MVAN-METHYLVALINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
1UNJ0.72
MVAN-METHYLVALINEA1DSD0.72
MVAN-METHYLVALINEB1L1V0.72
MVAN-METHYLVALINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.72
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMB0.72
MVAN-METHYLVALINEC1CWO0.72
MVAN-METHYLVALINEC1CWL0.72
MVAN-METHYLVALINEB1MIK0.72
MVAN-METHYLVALINEA1CSA0.72
MVAN-METHYLVALINEC1CWM0.72
MVAN-METHYLVALINEA1PFE0.72
MVAN-METHYLVALINEA,B,D,E,F,H1M630.72
MVAN-METHYLVALINEC1CWC0.72
MVAN-METHYLVALINEB,D,F,H2RMC0.72
MVAN-METHYLVALINEC1CWK0.72
MVAN-METHYLVALINEC1CYN0.72
MVAN-METHYLVALINEC,D1MNV0.72
MVAN-METHYLVALINEC,D2OJU0.72
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMA0.72
MVAN-METHYLVALINEA1CYB0.72
MVAN-METHYLVALINED1QNG0.72
MVAN-METHYLVALINEA,C,E,G2ADW0.72
MVAN-METHYLVALINEC1CWB0.72
MVAN-METHYLVALINEA,B,C,D,E,F1UNM0.72
MVAN-METHYLVALINEA,B1OVF0.72
MVAN-METHYLVALINEA,B185D0.72
MVAN-METHYLVALINEA1XVK0.72
MVAN-METHYLVALINEA,C1XVR0.72
MVAN-METHYLVALINEA,B173D0.72
MVAN-METHYLVALINEA,B1FJA0.72
MVAN-METHYLVALINEB3CYS0.72
MVAN-METHYLVALINEA,B,C1A7Y0.72
MVAN-METHYLVALINEA,B,C1L5G0.72
MVAN-METHYLVALINEA,B,C,D1I3W0.72
MVAN-METHYLVALINEA316D0.72
MVAN-METHYLVALINEA1XVN0.72
MVAN-METHYLVALINEC1IKF0.72
MVAN-METHYLVALINEA,M,N2Z6W0.72
MVAN-METHYLVALINEA,B,C1QFI0.72
MVAN-METHYLVALINEA,B3GO30.72
MVAN-METHYLVALINEC1CWA0.72
MVAN-METHYLVALINEC1CWF0.72
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P
1C5F0.72
MVAN-METHYLVALINED,E,F1XQ70.72
MVAN-METHYLVALINEA1CYA0.72
MVAN-METHYLVALINEA,B,D1MF80.72
MVAN-METHYLVALINEA,B1A7Z0.72
MVAN-METHYLVALINEA1DSC0.72
MVAN-METHYLVALINET,U,V2POY0.72
MVAN-METHYLVALINEA2D550.72
MVAN-METHYLVALINEC1BCK0.72
MVAN-METHYLVALINEC1CWI0.72
MVAN-METHYLVALINEC,D1QNH0.72
MVAN-METHYLVALINEA1VS20.72
6PR(S)-4-AMINO-4-OXO-3-(2-PHOSPHONOACETAMIDO)BUTANOIC ACIDA,B,C,D2H3E0.76
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2E680.74
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B1XGE0.74
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z290.74
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z260.74
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z270.74
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z280.74
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z2A0.74
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z240.74
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z250.74
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.8
L2A(2S,5S,8S,11S,15E,20S)-20-amino-
2-(carboxymethyl)-11,20-dimethyl-
5,8-bis(2-methylpropyl)-3,6,9,21-
tetraoxo-1,4,7,10-tetraazacyclohenicos-
15-ene-11-carboxylic acid
B2K1C0.7
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A2BJS0.73
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1QJE0.73
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BK00.73
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BLZ0.73
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
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1OEX0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWX0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVW0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVX0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWW0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1GKT0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWC0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVV0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVT0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2VS20.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA1OEW0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVU0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJJ0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJI0.77
AYAN-ACETYLALANINEA1D0W0.7
AYAN-ACETYLALANINEA1AH40.7
AYAN-ACETYLALANINEA,B1VBP0.7
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1J4T0.7
AYAN-ACETYLALANINEA,B,C,D1OUW0.7
AYAN-ACETYLALANINEA1AH30.7
AYAN-ACETYLALANINEA1EKO0.7
AYAN-ACETYLALANINEB,D,F,H2V4I0.7
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1VBO0.7
AYAN-ACETYLALANINEA,B,C,D1J4U0.7
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
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z260.72
NCDN-CARBAMOYL-L-ASPARTATEA,B1J790.72
NCDN-CARBAMOYL-L-ASPARTATEA,B1XGE0.72
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z290.72
NCDN-CARBAMOYL-L-ASPARTATEA,B,G,H1R0C0.72
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z270.72
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z280.72
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z2A0.72
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z240.72
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z250.72
ATIN-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACIDA1Y0Y0.74
ALYN(6)-ACETYLLYSINEA,B2B4D0.7
ALYN(6)-ACETYLLYSINEA,B2OD90.7
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVR0.7
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVS0.7
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVQ0.7
ALYN(6)-ACETYLLYSINEA,B,C,D2OT70.7
ALYN(6)-ACETYLLYSINEA,B2B5G0.7
ALYN(6)-ACETYLLYSINEA2GIV0.7
ALYN(6)-ACETYLLYSINEB2RNY0.7
ALYN(6)-ACETYLLYSINEA1JSP0.7
ALYN(6)-ACETYLLYSINEA,B,I,L2V5W0.7
ALYN(6)-ACETYLLYSINEA,D3D4B0.7
ALYN(6)-ACETYLLYSINEA,B,C,D2OQ60.7
ALYN(6)-ACETYLLYSINEA,B2R0Y0.7
ALYN(6)-ACETYLLYSINEA3CZ70.7
ALYN(6)-ACETYLLYSINEA1JM40.7
ALYN(6)-ACETYLLYSINEA,B2H4H0.7
ALYN(6)-ACETYLLYSINEA,B2J6V0.7
ALYN(6)-ACETYLLYSINEA,B2R100.7
ALYN(6)-ACETYLLYSINEA,B1YC50.7
ALYN(6)-ACETYLLYSINEA,B,C,D2OX00.7
ALYN(6)-ACETYLLYSINEA,B2H2G0.7
ALYN(6)-ACETYLLYSINEA,D2H4F0.7
ALYN(6)-ACETYLLYSINEA2OU20.7
ALYN(6)-ACETYLLYSINEA,B1S5P0.7
ALYN(6)-ACETYLLYSINEB2RNW0.7
ALYN(6)-ACETYLLYSINEA3D350.7
ALYN(6)-ACETYLLYSINEA,B2OD20.7
ALYN(6)-ACETYLLYSINEA2ZFN0.7
ALYN(6)-ACETYLLYSINEC,D2C1J0.7
ALYN(6)-ACETYLLYSINEA,B2QQG0.7
ALYN(6)-ACETYLLYSINEB2RNX0.7
ALYN(6)-ACETYLLYSINEA,B1MA30.7
ALYN(6)-ACETYLLYSINEA,B2H2H0.7
ALYN(6)-ACETYLLYSINEA2I2Z0.7
ALYN(6)-ACETYLLYSINEA,B2OD70.7
ALYN(6)-ACETYLLYSINEP1E6I0.7
ALYN(6)-ACETYLLYSINEA,B1SZC0.7
ALYN(6)-ACETYLLYSINEA,B,C,D,I,J,
K,L
3EWF0.7
ALYN(6)-ACETYLLYSINEA,B2H2D0.7
ALYN(6)-ACETYLLYSINEA,B1Q1A0.7
ALYN(6)-ACETYLLYSINEA,B1SZD0.7
ALYN(6)-ACETYLLYSINEQ,R2E3K0.7
ALYN(6)-ACETYLLYSINEA2OZU0.7
ALYN(6)-ACETYLLYSINEA,B2QQF0.7
ALYN(6)-ACETYLLYSINEA,B,C2R0V0.7
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NKK0.78
DMHN4,N4-DIMETHYL-ASPARAGINEA,B,C,D,E,F,
G,H
1NJT0.78
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NJU0.78
DMHN4,N4-DIMETHYL-ASPARAGINEY,Z1JQ70.78
DMHN4,N4-DIMETHYL-ASPARAGINEC1NKM0.78
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.7
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.73
AN0N-ACETYL-L-NORVALINEA1ZQ80.73
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.75
OPIPANTOTHENYL-AMINOETHANOL-11-PIVALIC ACIDA,B,C,D2VU10.71
C6LN-hexanoyl-L-homoserineA3DHA0.72
C6LN-hexanoyl-L-homoserineA3DHB0.72
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.82
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.82
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.82
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.82
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.82
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.82
DSGD-ASPARAGINEA,B2Q330.72
DSGD-ASPARAGINEA2IH00.72
DSGD-ASPARAGINEA2JUE0.72
DSGD-ASPARAGINEA1A850.72
DSGD-ASPARAGINEA1T5N0.72
DSGD-ASPARAGINEA2IGZ0.72
DSGD-ASPARAGINEA,B,C,D3BOG0.72
DSGD-ASPARAGINEA1T5M0.72
DSGD-ASPARAGINEA,B1HXB0.72
SIC(2R)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-
1-yl]-3-sulfanylpropanoic acid
A,B3DIP0.72
MENN-METHYL ASPARAGINEA,B,K,L1B8D0.81
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
1GH00.81
MENN-METHYL ASPARAGINEA,B,C,D1XF60.81
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
H,I,J,K,L,M
1B330.81
MENN-METHYL ASPARAGINEA,B1I7Y0.81
MENN-METHYL ASPARAGINEA,B3BRP0.81
MENN-METHYL ASPARAGINEA,B1JBO0.81
MENN-METHYL ASPARAGINEA,B1ALL0.81
MENN-METHYL ASPARAGINEA,B,K,L1EYX0.81
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
1HA70.81
MENN-METHYL ASPARAGINEA,B,C,D2VJH0.81
MENN-METHYL ASPARAGINEA,B1KTP0.81
MENN-METHYL ASPARAGINEA,B1PHN0.81
MENN-METHYL ASPARAGINEA,B,C,D1QGW0.81
MENN-METHYL ASPARAGINEA,B,C,D1XG00.81
MENN-METHYL ASPARAGINEA,B2VJT0.81
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
K,L,M,N,O,P
2BV80.81
MENN-METHYL ASPARAGINEA,B2V8A0.81
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H
3DBJ0.81
AFAN-[7-METHYL-OCT-2,4-DIENOYL]ASPARAGINEA1DSR0.76
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.8
2Z9N-acetyl-L-alpha-aspartyl-L-alpha-
glutamyl-N-[(1R)-2-carboxy-1-formylethyl]-
L-valinamide
A,B3H1P0.75
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE
A1IKG0.73
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.75
BCVD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
D-CYCLOPROPYLGLYCINE
A2IVJ0.7
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.71
1IPN~2~-(PHOSPHONOACETYL)-L-ASPARAGINEA,B,C,D2IPO0.79
75VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE
A2DCA0.72
NSKN-SUCCINYL LYSINEA2P8B0.79
SMGN-SUCCINYL METHIONINEA,B,C,D1SJC0.76
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D2GGH0.72
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D1XPY0.72