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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02292344

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
KCQ(3S)-3-[(2S)-2-AMINO-3-OXOBUTYL]PYRROLIDIN-
2-ONE
A,I2Z3E0.71
BUM2-AMINO-N,3,3-TRIMETHYLBUTANAMIDEA,B1GKC0.71
BUM2-AMINO-N,3,3-TRIMETHYLBUTANAMIDEA,B1GKD0.71
OHM3-OXO-N-[(3S)-2-OXOPYRROLIDIN-3-
YL]DODECANAMIDE
B,H2NTF0.71
CIB2-ACETYLAMINO-4-METHYL-PENTANOIC ACID [1-
(1-FORMYL-PENTYLCARBAMOYL)-3-METHYL-
BUTYL]-AMIDE
H,I,J,K,L,M,N1J2Q0.93
MNVN-METHYL-C-AMINO VALINEC1CWJ0.73
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
TCOTERT-BUTYL(1S)-1-CYCLOHEXYL-2-OXOETHYLCARBAMATEA1Q6K0.72
RIN3-AMINO-AZACYCLOTRIDECAN-2-ONEA,B1KBC0.78
A3M2-AMINO-3-METHYL-1-PYRROLIDIN-1-
YL-BUTAN-1-ONE
A,B1N1M0.73
RHS3-(CARBOXYAMIDE(2-CARBOXYAMIDE-
2-TERTBUTYLETHYL))PENTAN
A1JLD0.73
RO4[[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL-
BUTYL]-CARBONYL-LEUCINYL]-ALANINE ETHYL ESTER
A2TCL0.71
CGN5-OXO-PYRROLIDINE-2-CARBALDEHYDEA3CAR0.71
CGN5-OXO-PYRROLIDINE-2-CARBALDEHYDEA1I3U0.71
CGN5-OXO-PYRROLIDINE-2-CARBALDEHYDEA3CAO0.71
1AD(1S)-2-[(2S,5R)-2-(AMINOMETHYL)-
5-PROP-1-YN-1-YLPYRROLIDIN-1-YL]-
1-CYCLOPENTYL-2-OXOETHANAMINE
A2GBG0.71
PPLPIPERIDINE-2-CARBOXYLIC ACID TERT-
BUTYLAMIDE
A,B1IDB0.8
PPLPIPERIDINE-2-CARBOXYLIC ACID TERT-
BUTYLAMIDE
A,B1IDA0.8
BB12-[(FORMYL-HYDROXY-AMINO)-METHYL]-
HEXANOIC ACID (1-DIMETHYLCARBAMOYL-
2,2-DIMETHYL-PROPYL)-AMIDE
A,B,C1G270.79
AIO[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-
2-YL]BORONIC ACID
A2EEP0.79
AIO[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-
2-YL]BORONIC ACID
A2Z3Z0.79
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.76
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,D2AJD0.71