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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00483495

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE
A1IKG0.76
SP7N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}acetamide
A,B3CNP0.73
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE
A1IKI0.74
LYN2,6-DIAMINO-HEXANOIC ACID AMIDEA1GEA0.74
BB12-[(FORMYL-HYDROXY-AMINO)-METHYL]-
HEXANOIC ACID (1-DIMETHYLCARBAMOYL-
2,2-DIMETHYL-PROPYL)-AMIDE
A,B,C1G270.73
LPDL-PROLINAMIDEH,S2H9E0.76
CIB2-ACETYLAMINO-4-METHYL-PENTANOIC ACID [1-
(1-FORMYL-PENTYLCARBAMOYL)-3-METHYL-
BUTYL]-AMIDE
H,I,J,K,L,M,N1J2Q0.8
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.73
RIN3-AMINO-AZACYCLOTRIDECAN-2-ONEA,B1KBC0.87
PPLPIPERIDINE-2-CARBOXYLIC ACID TERT-
BUTYLAMIDE
A,B1IDB0.85
PPLPIPERIDINE-2-CARBOXYLIC ACID TERT-
BUTYLAMIDE
A,B1IDA0.85
AIO[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-
2-YL]BORONIC ACID
A2EEP0.78
AIO[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-
2-YL]BORONIC ACID
A2Z3Z0.78
GIOCYCLO-(GLYCINE-L-PROLINE) INHIBITORA,B1W1P0.72
BEQN-(CARBOXYMETHYL)-N,N-DIMETHYL-
3-[(1-OXODODECYL)AMINO]-1-PROPANAMINIUM INNER SALT
A,B,C,D1YBK0.71
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,D2AJD0.78
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,B3EDZ0.76
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,B3EWJ0.76
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,B2DDF0.76
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,B,C,D2I470.76
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,C,E,I1BKC0.76
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,B2FV90.76
INN3,N(D,L-[2-(HYDROXYAMINO-CARBONYL)METHYL]-
4-METHYL PENTANOYL)L-3-(TERT-BUTYL)GLYCYL-
L-ALANINE
A,B3E8R0.76
SP5N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamideA,B3CND0.71
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B2J9P0.71
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B,C,D2VGK0.71
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.75
NLNNORLEUCINE AMIDEA1DW60.74
NLNNORLEUCINE AMIDEA,B,C2AOE0.74
NLNNORLEUCINE AMIDEA,B1EBK0.74
EPQ(4S)-4-amino-6-fluoro-N,N-dimethyl-
5-oxohexanamide
A,I2H6M0.71
EPQ(4S)-4-amino-6-fluoro-N,N-dimethyl-
5-oxohexanamide
A,I2H9H0.71
BUJ(3R)-3-(hexadecanoylamino)-4-(trimethylammonio)butanoateA,B2RCU0.72
DP2L-LYSYL-N~5~-[(Z)-(2,2-DIHYDROXYHYDRAZINO)(IMINO)METHYL]-
L-ORNITHINAMIDE
A,B1RS80.71
DP2L-LYSYL-N~5~-[(Z)-(2,2-DIHYDROXYHYDRAZINO)(IMINO)METHYL]-
L-ORNITHINAMIDE
A,B1RS60.71
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.72
ZRGN~2~-acetyl-N-methyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-
L-ornithinamide
A,B3CHC0.79
ALJCYCLO-(L-ARGININE-L-PROLINE) INHIBITORA,B1W1V0.71
LDM3-LAURYLAMIDO-N,N'-DIMETHYLPROPYLAMINOXYDEA1OKC0.72
BAA(TERT-BUTYLOXYCARBONYL)-ALANYL-
ALANYL-AMINE
A1ELG0.7
RHS3-(CARBOXYAMIDE(2-CARBOXYAMIDE-
2-TERTBUTYLETHYL))PENTAN
A1JLD0.72
ICCazepan-2-oneA,B2ZUK0.72
SSM(2S)-2-(acetylamino)-N-methyl-4-
[(S)-methylsulfinyl]butanamide
A3BQF0.72
ALYN(6)-ACETYLLYSINEA,B2B4D0.75
ALYN(6)-ACETYLLYSINEA,B2OD90.75
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVR0.75
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVS0.75
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVQ0.75
ALYN(6)-ACETYLLYSINEA,B,C,D2OT70.75
ALYN(6)-ACETYLLYSINEA,B2B5G0.75
ALYN(6)-ACETYLLYSINEA2GIV0.75
ALYN(6)-ACETYLLYSINEB2RNY0.75
ALYN(6)-ACETYLLYSINEA1JSP0.75
ALYN(6)-ACETYLLYSINEA,B,I,L2V5W0.75
ALYN(6)-ACETYLLYSINEA,D3D4B0.75
ALYN(6)-ACETYLLYSINEA,B,C,D2OQ60.75
ALYN(6)-ACETYLLYSINEA,B2R0Y0.75
ALYN(6)-ACETYLLYSINEA3CZ70.75
ALYN(6)-ACETYLLYSINEA1JM40.75
ALYN(6)-ACETYLLYSINEA,B2H4H0.75
ALYN(6)-ACETYLLYSINEA,B2J6V0.75
ALYN(6)-ACETYLLYSINEA,B2R100.75
ALYN(6)-ACETYLLYSINEA,B1YC50.75
ALYN(6)-ACETYLLYSINEA,B,C,D2OX00.75
ALYN(6)-ACETYLLYSINEA,B2H2G0.75
ALYN(6)-ACETYLLYSINEA,D2H4F0.75
ALYN(6)-ACETYLLYSINEA2OU20.75
ALYN(6)-ACETYLLYSINEA,B1S5P0.75
ALYN(6)-ACETYLLYSINEB2RNW0.75
ALYN(6)-ACETYLLYSINEA3D350.75
ALYN(6)-ACETYLLYSINEA,B2OD20.75
ALYN(6)-ACETYLLYSINEA2ZFN0.75
ALYN(6)-ACETYLLYSINEC,D2C1J0.75
ALYN(6)-ACETYLLYSINEA,B2QQG0.75
ALYN(6)-ACETYLLYSINEB2RNX0.75
ALYN(6)-ACETYLLYSINEA,B1MA30.75
ALYN(6)-ACETYLLYSINEA,B2H2H0.75
ALYN(6)-ACETYLLYSINEA2I2Z0.75
ALYN(6)-ACETYLLYSINEA,B2OD70.75
ALYN(6)-ACETYLLYSINEP1E6I0.75
ALYN(6)-ACETYLLYSINEA,B1SZC0.75
ALYN(6)-ACETYLLYSINEA,B,C,D,I,J,
K,L
3EWF0.75
ALYN(6)-ACETYLLYSINEA,B2H2D0.75
ALYN(6)-ACETYLLYSINEA,B1Q1A0.75
ALYN(6)-ACETYLLYSINEA,B1SZD0.75
ALYN(6)-ACETYLLYSINEQ,R2E3K0.75
ALYN(6)-ACETYLLYSINEA2OZU0.75
ALYN(6)-ACETYLLYSINEA,B2QQF0.75
ALYN(6)-ACETYLLYSINEA,B,C2R0V0.75
OHM3-OXO-N-[(3S)-2-OXOPYRROLIDIN-3-
YL]DODECANAMIDE
B,H2NTF0.78
A3M2-AMINO-3-METHYL-1-PYRROLIDIN-1-
YL-BUTAN-1-ONE
A,B1N1M0.72
MNVN-METHYL-C-AMINO VALINEC1CWJ0.72
BUM2-AMINO-N,3,3-TRIMETHYLBUTANAMIDEA,B1GKC0.72
BUM2-AMINO-N,3,3-TRIMETHYLBUTANAMIDEA,B1GKD0.72