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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03715541

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BB12-[(FORMYL-HYDROXY-AMINO)-METHYL]-
HEXANOIC ACID (1-DIMETHYLCARBAMOYL-
2,2-DIMETHYL-PROPYL)-AMIDE
A,B,C1G270.73
ZRGN~2~-acetyl-N-methyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-
L-ornithinamide
A,B3CHC0.7
GIOCYCLO-(GLYCINE-L-PROLINE) INHIBITORA,B1W1P0.74
A3M2-AMINO-3-METHYL-1-PYRROLIDIN-1-
YL-BUTAN-1-ONE
A,B1N1M0.8
AIO[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-
2-YL]BORONIC ACID
A2EEP0.92
AIO[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-
2-YL]BORONIC ACID
A2Z3Z0.92
1AD(1S)-2-[(2S,5R)-2-(AMINOMETHYL)-
5-PROP-1-YN-1-YLPYRROLIDIN-1-YL]-
1-CYCLOPENTYL-2-OXOETHANAMINE
A2GBG0.74
CIB2-ACETYLAMINO-4-METHYL-PENTANOIC ACID [1-
(1-FORMYL-PENTYLCARBAMOYL)-3-METHYL-
BUTYL]-AMIDE
H,I,J,K,L,M,N1J2Q0.79
ALJCYCLO-(L-ARGININE-L-PROLINE) INHIBITORA,B1W1V0.73
RHS3-(CARBOXYAMIDE(2-CARBOXYAMIDE-
2-TERTBUTYLETHYL))PENTAN
A1JLD0.71
AIA(1S)-2-[(2S,5R)-2-(AMINOMETHYL)-
5-ETHYNYLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-
2-OXOETHANAMINE
A2GBF0.72
BE8A,C3EYD0.71
HU5(1R,2S,5S)-N-[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-
2,3-DIOXOPROPYL]-3-[(2S)-2-{[(TERT-
BUTYLAMINO)CARBONYL]AMINO}-3,3-
DIMETHYLBUTANOYL]-6,6-DIMETHYL-
3-AZABICYCLO[3.1.0]HEXANE-2-CARBOXAMIDE
A,C2OC80.71
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,D2AJD0.8
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,B3EDZ0.77
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,B3EWJ0.77
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,B2DDF0.77
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,B,C,D2I470.77
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,C,E,I1BKC0.77
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,B2FV90.77
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,B3E8R0.77
LPDL-PROLINAMIDEH,S2H9E0.75
CPXN-[(2R,3S)-1-((2S)-2-{[(CYCLOPENTYLAMINO)CARBONYL]AMINO}-
3-METHYLBUTANOYL)-2-(1-FORMYL-1-
CYCLOBUTYL)PYRROLIDINYL]CYCLOPROPANECARBOXAMIDE
A,B1RTL0.7
OHM3-OXO-N-[(3S)-2-OXOPYRROLIDIN-3-
YL]DODECANAMIDE
B,H2NTF0.72
277N-(TRANS-4-{(1S,2S)-2-AMINO-3-[(3S)-
3-FLUOROPYRROLIDIN-1-YL]-1-METHYL-
3-OXOPROPYL}CYCLOHEXYL)-N-METHYLACETAMIDE
A,B2OPH0.75
KCQ(3S)-3-[(2S)-2-AMINO-3-OXOBUTYL]PYRROLIDIN-
2-ONE
A,I2Z3E0.74