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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00917528

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NMP2-[2-(2-CYCLOHEXYL-2-GUANIDINO-
ACETYLAMINO)-ACETYLAMINO]-N-(3-
MERCAPTO-PROPYL)-PROPIONAMIDE
A1M4B0.78
CIB2-ACETYLAMINO-4-METHYL-PENTANOIC ACID [1-
(1-FORMYL-PENTYLCARBAMOYL)-3-METHYL-
BUTYL]-AMIDE
H,I,J,K,L,M,N1J2Q0.83
PPLPIPERIDINE-2-CARBOXYLIC ACID TERT-
BUTYLAMIDE
A,B1IDB0.77
PPLPIPERIDINE-2-CARBOXYLIC ACID TERT-
BUTYLAMIDE
A,B1IDA0.77
1AD(1S)-2-[(2S,5R)-2-(AMINOMETHYL)-
5-PROP-1-YN-1-YLPYRROLIDIN-1-YL]-
1-CYCLOPENTYL-2-OXOETHANAMINE
A2GBG0.78
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,B3EDZ0.79
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,B3EWJ0.79
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,B2DDF0.79
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,B,C,D2I470.79
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,C,E,I1BKC0.79
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,B2FV90.79
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,B3E8R0.79
IGN{[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)AMINO]CARBONYL}PIPERIDINYL)-
1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]AMINO}ACETIC ACID
A1K1O0.71
IGN{[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)AMINO]CARBONYL}PIPERIDINYL)-
1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]AMINO}ACETIC ACID
H,I1K210.71
TCOTERT-BUTYL(1S)-1-CYCLOHEXYL-2-OXOETHYLCARBAMATEA1Q6K0.72
RIN3-AMINO-AZACYCLOTRIDECAN-2-ONEA,B1KBC0.77
OHM3-OXO-N-[(3S)-2-OXOPYRROLIDIN-3-
YL]DODECANAMIDE
B,H2NTF0.73
RHS3-(CARBOXYAMIDE(2-CARBOXYAMIDE-
2-TERTBUTYLETHYL))PENTAN
A1JLD0.73
RO4[[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL-
BUTYL]-CARBONYL-LEUCINYL]-ALANINE ETHYL ESTER
A2TCL0.71
AIA(1S)-2-[(2S,5R)-2-(AMINOMETHYL)-
5-ETHYNYLPYRROLIDIN-1-YL]-1-CYCLOPENTYL-
2-OXOETHANAMINE
A2GBF0.76
BB12-[(FORMYL-HYDROXY-AMINO)-METHYL]-
HEXANOIC ACID (1-DIMETHYLCARBAMOYL-
2,2-DIMETHYL-PROPYL)-AMIDE
A,B,C1G270.76
277N-(TRANS-4-{(1S,2S)-2-AMINO-3-[(3S)-
3-FLUOROPYRROLIDIN-1-YL]-1-METHYL-
3-OXOPROPYL}CYCLOHEXYL)-N-METHYLACETAMIDE
A,B2OPH0.84
BEQN-(CARBOXYMETHYL)-N,N-DIMETHYL-
3-[(1-OXODODECYL)AMINO]-1-PROPANAMINIUM INNER SALT
A,B,C,D1YBK0.72
KCQ(3S)-3-[(2S)-2-AMINO-3-OXOBUTYL]PYRROLIDIN-
2-ONE
A,I2Z3E0.73
LDM3-LAURYLAMIDO-N,N'-DIMETHYLPROPYLAMINOXYDEA1OKC0.73
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
BUJ(3R)-3-(hexadecanoylamino)-4-(trimethylammonio)butanoateA,B2RCU0.73
A3M2-AMINO-3-METHYL-1-PYRROLIDIN-1-
YL-BUTAN-1-ONE
A,B1N1M0.7