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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03924852

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CIB2-ACETYLAMINO-4-METHYL-PENTANOIC ACID [1-
(1-FORMYL-PENTYLCARBAMOYL)-3-METHYL-
BUTYL]-AMIDE
H,I,J,K,L,M,N1J2Q0.82
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.71
GIOCYCLO-(GLYCINE-L-PROLINE) INHIBITORA,B1W1P0.73
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.74
140N-PALMITOYLGLYCINEA,B1JPZ0.71
140N-PALMITOYLGLYCINEA,B1ZOA0.71
140N-PALMITOYLGLYCINEA,B3CBD0.71
EPQ(4S)-4-amino-6-fluoro-N,N-dimethyl-
5-oxohexanamide
A,I2H6M0.72
EPQ(4S)-4-amino-6-fluoro-N,N-dimethyl-
5-oxohexanamide
A,I2H9H0.72
BB12-[(FORMYL-HYDROXY-AMINO)-METHYL]-
HEXANOIC ACID (1-DIMETHYLCARBAMOYL-
2,2-DIMETHYL-PROPYL)-AMIDE
A,B,C1G270.74
BAA(TERT-BUTYLOXYCARBONYL)-ALANYL-
ALANYL-AMINE
A1ELG0.71
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.76
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,B3EDZ0.74
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,B3EWJ0.74
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,B2DDF0.74
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,B,C,D2I470.74
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,C,E,I1BKC0.74
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,B2FV90.74
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,B3E8R0.74
AIO[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-
2-YL]BORONIC ACID
A2EEP0.8
AIO[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-
2-YL]BORONIC ACID
A2Z3Z0.8
A3M2-AMINO-3-METHYL-1-PYRROLIDIN-1-
YL-BUTAN-1-ONE
A,B1N1M0.73
ICCazepan-2-oneA,B2ZUK0.73
ALYN(6)-ACETYLLYSINEA,B2B4D0.77
ALYN(6)-ACETYLLYSINEA,B2OD90.77
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVR0.77
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVS0.77
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVQ0.77
ALYN(6)-ACETYLLYSINEA,B,C,D2OT70.77
ALYN(6)-ACETYLLYSINEA,B2B5G0.77
ALYN(6)-ACETYLLYSINEA2GIV0.77
ALYN(6)-ACETYLLYSINEB2RNY0.77
ALYN(6)-ACETYLLYSINEA1JSP0.77
ALYN(6)-ACETYLLYSINEA,B,I,L2V5W0.77
ALYN(6)-ACETYLLYSINEA,D3D4B0.77
ALYN(6)-ACETYLLYSINEA,B,C,D2OQ60.77
ALYN(6)-ACETYLLYSINEA,B2R0Y0.77
ALYN(6)-ACETYLLYSINEA3CZ70.77
ALYN(6)-ACETYLLYSINEA1JM40.77
ALYN(6)-ACETYLLYSINEA,B2H4H0.77
ALYN(6)-ACETYLLYSINEA,B2J6V0.77
ALYN(6)-ACETYLLYSINEA,B2R100.77
ALYN(6)-ACETYLLYSINEA,B1YC50.77
ALYN(6)-ACETYLLYSINEA,B,C,D2OX00.77
ALYN(6)-ACETYLLYSINEA,B2H2G0.77
ALYN(6)-ACETYLLYSINEA,D2H4F0.77
ALYN(6)-ACETYLLYSINEA2OU20.77
ALYN(6)-ACETYLLYSINEA,B1S5P0.77
ALYN(6)-ACETYLLYSINEB2RNW0.77
ALYN(6)-ACETYLLYSINEA3D350.77
ALYN(6)-ACETYLLYSINEA,B2OD20.77
ALYN(6)-ACETYLLYSINEA2ZFN0.77
ALYN(6)-ACETYLLYSINEC,D2C1J0.77
ALYN(6)-ACETYLLYSINEA,B2QQG0.77
ALYN(6)-ACETYLLYSINEB2RNX0.77
ALYN(6)-ACETYLLYSINEA,B1MA30.77
ALYN(6)-ACETYLLYSINEA,B2H2H0.77
ALYN(6)-ACETYLLYSINEA2I2Z0.77
ALYN(6)-ACETYLLYSINEA,B2OD70.77
ALYN(6)-ACETYLLYSINEP1E6I0.77
ALYN(6)-ACETYLLYSINEA,B1SZC0.77
ALYN(6)-ACETYLLYSINEA,B,C,D,I,J,
K,L
3EWF0.77
ALYN(6)-ACETYLLYSINEA,B2H2D0.77
ALYN(6)-ACETYLLYSINEA,B1Q1A0.77
ALYN(6)-ACETYLLYSINEA,B1SZD0.77
ALYN(6)-ACETYLLYSINEQ,R2E3K0.77
ALYN(6)-ACETYLLYSINEA2OZU0.77
ALYN(6)-ACETYLLYSINEA,B2QQF0.77
ALYN(6)-ACETYLLYSINEA,B,C2R0V0.77
BEQN-(CARBOXYMETHYL)-N,N-DIMETHYL-
3-[(1-OXODODECYL)AMINO]-1-PROPANAMINIUM INNER SALT
A,B,C,D1YBK0.73
BUM2-AMINO-N,3,3-TRIMETHYLBUTANAMIDEA,B1GKC0.74
BUM2-AMINO-N,3,3-TRIMETHYLBUTANAMIDEA,B1GKD0.74
1AD(1S)-2-[(2S,5R)-2-(AMINOMETHYL)-
5-PROP-1-YN-1-YLPYRROLIDIN-1-YL]-
1-CYCLOPENTYL-2-OXOETHANAMINE
A2GBG0.71
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,D2AJD0.79
BUJ(3R)-3-(hexadecanoylamino)-4-(trimethylammonio)butanoateA,B2RCU0.73
CYKN-hexanoyl-L-homocysteineA3DHC0.71