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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02230317

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.81
BPR(2R)-N-[(2R)-2-(DIHYDROXYBORYL)-
1-L-PROLYLPYRROLIDIN-2-YL]-N-[(5R)-
5-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-
2-YL]-L-PROLINAMIDE
A,B,C,D2AJD0.73
BUJ(3R)-3-(hexadecanoylamino)-4-(trimethylammonio)butanoateA,B2RCU0.76
140N-PALMITOYLGLYCINEA,B1JPZ0.79
140N-PALMITOYLGLYCINEA,B1ZOA0.79
140N-PALMITOYLGLYCINEA,B3CBD0.79
BAA(TERT-BUTYLOXYCARBONYL)-ALANYL-
ALANYL-AMINE
A1ELG0.71
BEQN-(CARBOXYMETHYL)-N,N-DIMETHYL-
3-[(1-OXODODECYL)AMINO]-1-PROPANAMINIUM INNER SALT
A,B,C,D1YBK0.81
ALYN(6)-ACETYLLYSINEA,B2B4D0.82
ALYN(6)-ACETYLLYSINEA,B2OD90.82
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVR0.82
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVS0.82
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVQ0.82
ALYN(6)-ACETYLLYSINEA,B,C,D2OT70.82
ALYN(6)-ACETYLLYSINEA,B2B5G0.82
ALYN(6)-ACETYLLYSINEA2GIV0.82
ALYN(6)-ACETYLLYSINEB2RNY0.82
ALYN(6)-ACETYLLYSINEA1JSP0.82
ALYN(6)-ACETYLLYSINEA,B,I,L2V5W0.82
ALYN(6)-ACETYLLYSINEA,D3D4B0.82
ALYN(6)-ACETYLLYSINEA,B,C,D2OQ60.82
ALYN(6)-ACETYLLYSINEA,B2R0Y0.82
ALYN(6)-ACETYLLYSINEA3CZ70.82
ALYN(6)-ACETYLLYSINEA1JM40.82
ALYN(6)-ACETYLLYSINEA,B2H4H0.82
ALYN(6)-ACETYLLYSINEA,B2J6V0.82
ALYN(6)-ACETYLLYSINEA,B2R100.82
ALYN(6)-ACETYLLYSINEA,B1YC50.82
ALYN(6)-ACETYLLYSINEA,B,C,D2OX00.82
ALYN(6)-ACETYLLYSINEA,B2H2G0.82
ALYN(6)-ACETYLLYSINEA,D2H4F0.82
ALYN(6)-ACETYLLYSINEA2OU20.82
ALYN(6)-ACETYLLYSINEA,B1S5P0.82
ALYN(6)-ACETYLLYSINEB2RNW0.82
ALYN(6)-ACETYLLYSINEA3D350.82
ALYN(6)-ACETYLLYSINEA,B2OD20.82
ALYN(6)-ACETYLLYSINEA2ZFN0.82
ALYN(6)-ACETYLLYSINEC,D2C1J0.82
ALYN(6)-ACETYLLYSINEA,B2QQG0.82
ALYN(6)-ACETYLLYSINEB2RNX0.82
ALYN(6)-ACETYLLYSINEA,B1MA30.82
ALYN(6)-ACETYLLYSINEA,B2H2H0.82
ALYN(6)-ACETYLLYSINEA2I2Z0.82
ALYN(6)-ACETYLLYSINEA,B2OD70.82
ALYN(6)-ACETYLLYSINEP1E6I0.82
ALYN(6)-ACETYLLYSINEA,B1SZC0.82
ALYN(6)-ACETYLLYSINEA,B,C,D,I,J,
K,L
3EWF0.82
ALYN(6)-ACETYLLYSINEA,B2H2D0.82
ALYN(6)-ACETYLLYSINEA,B1Q1A0.82
ALYN(6)-ACETYLLYSINEA,B1SZD0.82
ALYN(6)-ACETYLLYSINEQ,R2E3K0.82
ALYN(6)-ACETYLLYSINEA2OZU0.82
ALYN(6)-ACETYLLYSINEA,B2QQF0.82
ALYN(6)-ACETYLLYSINEA,B,C2R0V0.82
CYKN-hexanoyl-L-homocysteineA3DHC0.78
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A2BJS0.74
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1QJE0.74
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BK00.74
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BLZ0.74
BCVD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
D-CYCLOPROPYLGLYCINE
A2IVJ0.73
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.77
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.82
C6LN-hexanoyl-L-homoserineA3DHA0.77
C6LN-hexanoyl-L-homoserineA3DHB0.77
ACCN-[N-[2-AMINO-6-OXO-HEXANOIC ACID-
6-YL]CYSTEINYL]-S-METHYLCYSTEINE
A1QIQ0.73
CIB2-ACETYLAMINO-4-METHYL-PENTANOIC ACID [1-
(1-FORMYL-PENTYLCARBAMOYL)-3-METHYL-
BUTYL]-AMIDE
H,I,J,K,L,M,N1J2Q0.73
CPI6-CARBOXYPIPERIDINEA,B,C,D,F,Q1EFR0.71
CPI6-CARBOXYPIPERIDINEB1EOL0.71
CPI6-CARBOXYPIPERIDINEB1EOJ0.71
CPI6-CARBOXYPIPERIDINEA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.71
CPI6-CARBOXYPIPERIDINEA,B2ITK0.71
CPI6-CARBOXYPIPERIDINEA,B2Q5A0.71
AIO[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-
2-YL]BORONIC ACID
A2EEP0.71
AIO[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-
2-YL]BORONIC ACID
A2Z3Z0.71
ACWD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
B-METHYL-D-CYCLOPROPYLGLYCINE
B2IVI0.7
AYAN-ACETYLALANINEA1D0W0.71
AYAN-ACETYLALANINEA1AH40.71
AYAN-ACETYLALANINEA,B1VBP0.71
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1J4T0.71
AYAN-ACETYLALANINEA,B,C,D1OUW0.71
AYAN-ACETYLALANINEA1AH30.71
AYAN-ACETYLALANINEA1EKO0.71
AYAN-ACETYLALANINEB,D,F,H2V4I0.71
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1VBO0.71
AYAN-ACETYLALANINEA,B,C,D1J4U0.71
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.77
AN0N-ACETYL-L-NORVALINEA1ZQ80.77